N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide

C34H32Cl2F4N4O7S2 — CID 161085924

IUPACN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)CN)cc1F)c1ccccc1Cl.CS(=O)(=O)N(Cc1ccc(C(=O)CNC(=O)C(F)F)cc1F)c1ccccc1Cl
InChIInChI=1S/C18H16ClF3N2O4S.C16H16ClFN2O3S/c1-29(27,28)24(15-5-3-2-4-13(15)19)10-12-7-6-11(8-14(12)20)16(25)9-23-18(26)17(21)22;1-24(22,23)20(15-5-3-2-4-13(15)17)10-12-7-6-11(8-14(12)18)16(21)9-19/h2-8,17H,9-10H2,1H3,(H,23,26);2-8H,9-10,19H2,1H3
InChIKeyUGMVIWCDAWHSOT-UHFFFAOYSA-N
MW819.68 g/mol
LogP5.60
Rot. Bonds14

About N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide

N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide (PubChem CID 161085924) has the molecular formula C34H32Cl2F4N4O7S2 and a molecular weight of 819.68 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide
PubChem CID161085924
Molecular FormulaC34H32Cl2F4N4O7S2
Molecular Weight819.68 g/mol
Exact Mass818.10
IUPAC NameN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)CN)cc1F)c1ccccc1Cl.CS(=O)(=O)N(Cc1ccc(C(=O)CNC(=O)C(F)F)cc1F)c1ccccc1Cl
InChIInChI=1S/C18H16ClF3N2O4S.C16H16ClFN2O3S/c1-29(27,28)24(15-5-3-2-4-13(15)19)10-12-7-6-11(8-14(12)20)16(25)9-23-18(26)17(21)22;1-24(22,23)20(15-5-3-2-4-13(15)17)10-12-7-6-11(8-14(12)18)16(21)9-19/h2-8,17H,9-10H2,1H3,(H,23,26);2-8H,9-10,19H2,1H3
InChIKeyUGMVIWCDAWHSOT-UHFFFAOYSA-N
XLogP5.60
TPSA164.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.68
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-[2-(trifluoromethyl)phenyl]methanesulfonamide;2,2-difluoro-N-[2-[3-fluoro-4-[[N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]phenyl]-2-oxoethyl]acetamide
CID 160841653
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-methoxyphenyl)methanesulfonamide;2,2-difluoro-N-[2-[3-fluoro-4-[(3-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide
CID 161109242
2,2,2-trifluoro-N-[2-[3-fluoro-4-[(2-fluoro-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide
CID 158981666
2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide
CID 159900558
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide
CID 159840087
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]-N-(2-methylphenyl)methanesulfonamide
CID 126506645
N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide
CID 159773578
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]-N-phenylmethanesulfonamide
CID 126507038
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-phenylethanesulfonamide
CID 157227251
N-[[4-(2-aminoacetyl)-3-fluorophenyl]methyl]-N-phenylmethanesulfonamide;2,2-difluoro-N-[2-[2-fluoro-4-[(N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide
CID 161485458
N-(3-chlorophenyl)-N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]methanesulfonamide
CID 126508243
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide
CID 158373017

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide?
The IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide (CID 161085924) is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide is CS(=O)(=O)N(Cc1ccc(C(=O)CN)cc1F)c1ccccc1Cl.CS(=O)(=O)N(Cc1ccc(C(=O)CNC(=O)C(F)F)cc1F)c1ccccc1Cl.
What is the InChIKey of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide?
The InChIKey is UGMVIWCDAWHSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O4S.C16H16ClFN2O3S/c1-29(27,28)24(15-5-3-2-4-13(15)19)10-12-7-6-11(8-14(12)20)16(25)9-23-18(26)17(21)22;1-24(22,23)20(15-5-3-2-4-13(15)17)10-12-7-6-11(8-14(12)18)16(21)9-19/h2-8,17H,9-10H2,1H3,(H,23,26);2-8H,9-10,19H2,1H3.
What are the key properties of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide?
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide has a molecular weight of 819.68 g/mol, XLogP of 5.60, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(2-chlorophenyl)methanesulfonamide;N-[2-[4-[(2-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide is sourced from PubChem (CID 161085924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).