N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

C19H15ClF2N2O4S2 — CID 46576758

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C19H15ClF2N2O4S2/c20-15-11-14(7-8-16(15)28-19(21)22)23-17(25)10-12-3-5-13(6-4-12)24-30(26,27)18-2-1-9-29-18/h1-9,11,19,24H,10H2,(H,23,25)
InChIKeyRMUSVBGYCMSIOT-UHFFFAOYSA-N
MW472.92 g/mol
LogP4.98
Rot. Bonds8

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (PubChem CID 46576758) has the molecular formula C19H15ClF2N2O4S2 and a molecular weight of 472.92 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
PubChem CID46576758
Molecular FormulaC19H15ClF2N2O4S2
Molecular Weight472.92 g/mol
Exact Mass472.01
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C19H15ClF2N2O4S2/c20-15-11-14(7-8-16(15)28-19(21)22)23-17(25)10-12-3-5-13(6-4-12)24-30(26,27)18-2-1-9-29-18/h1-9,11,19,24H,10H2,(H,23,25)
InChIKeyRMUSVBGYCMSIOT-UHFFFAOYSA-N
XLogP4.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.92
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39267237
N-(3-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39191280
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39678609
N-[2-(difluoromethoxy)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37311988
N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 23098244
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78804386
N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide
CID 39831666
N-(1-hydroxypropan-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 78856474
3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119221285

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (CID 46576758) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The InChIKey is RMUSVBGYCMSIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O4S2/c20-15-11-14(7-8-16(15)28-19(21)22)23-17(25)10-12-3-5-13(6-4-12)24-30(26,27)18-2-1-9-29-18/h1-9,11,19,24H,10H2,(H,23,25).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide has a molecular weight of 472.92 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 46576758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).