N-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

C19H19F2N3O5S — CID 56537296

IUPACN-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NC(C#N)c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C19H19F2N3O5S/c1-28-17-6-4-13(10-18(17)29-2)30(26,27)23-8-7-19(25)24-16(11-22)14-5-3-12(20)9-15(14)21/h3-6,9-10,16,23H,7-8H2,1-2H3,(H,24,25)
InChIKeyYPGKGEZLSBAFSA-UHFFFAOYSA-N
MW439.44 g/mol
LogP2.03
Rot. Bonds9

About N-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

N-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (PubChem CID 56537296) has the molecular formula C19H19F2N3O5S and a molecular weight of 439.44 g/mol. Its IUPAC name is N-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
PubChem CID56537296
Molecular FormulaC19H19F2N3O5S
Molecular Weight439.44 g/mol
Exact Mass439.10
IUPAC NameN-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NC(C#N)c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C19H19F2N3O5S/c1-28-17-6-4-13(10-18(17)29-2)30(26,27)23-8-7-19(25)24-16(11-22)14-5-3-12(20)9-15(14)21/h3-6,9-10,16,23H,7-8H2,1-2H3,(H,24,25)
InChIKeyYPGKGEZLSBAFSA-UHFFFAOYSA-N
XLogP2.03
TPSA117.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 56537065
N-[(2S)-1-aminopropan-2-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 120509148
N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 119408095
2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 46460934
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 55362076
(E)-N-[cyano-(2,4-difluorophenyl)methyl]-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 56536824
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24550136
N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 56584375
N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 43072375
N-[2-(4-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 30365751
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (CID 56537296) is N-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)NCCC(=O)NC(C#N)c2ccc(F)cc2F)cc1OC.
What is the InChIKey of N-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is YPGKGEZLSBAFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O5S/c1-28-17-6-4-13(10-18(17)29-2)30(26,27)23-8-7-19(25)24-16(11-22)14-5-3-12(20)9-15(14)21/h3-6,9-10,16,23H,7-8H2,1-2H3,(H,24,25).
What are the key properties of N-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
N-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 439.44 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2,4-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 56537296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).