N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide

C23H18ClN3O4S2 — CID 24668370

IUPACN-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3sccc3-n3cccc3)cc2Cl)c1
InChIInChI=1S/C23H18ClN3O4S2/c1-33(30,31)17-6-4-5-15(13-17)22(28)26-19-8-7-16(14-18(19)24)25-23(29)21-20(9-12-32-21)27-10-2-3-11-27/h2-14H,1H3,(H,25,29)(H,26,28)
InChIKeyGWDKSMPJROWGQJ-UHFFFAOYSA-N
MW500.00 g/mol
LogP5.10
Rot. Bonds6

About N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide

N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 24668370) has the molecular formula C23H18ClN3O4S2 and a molecular weight of 500.00 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID24668370
Molecular FormulaC23H18ClN3O4S2
Molecular Weight500.00 g/mol
Exact Mass499.04
IUPAC NameN-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3sccc3-n3cccc3)cc2Cl)c1
InChIInChI=1S/C23H18ClN3O4S2/c1-33(30,31)17-6-4-5-15(13-17)22(28)26-19-8-7-16(14-18(19)24)25-23(29)21-20(9-12-32-21)27-10-2-3-11-27/h2-14H,1H3,(H,25,29)(H,26,28)
InChIKeyGWDKSMPJROWGQJ-UHFFFAOYSA-N
XLogP5.10
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.00
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide
CID 24667859
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
N-[2-chloro-4-(4-methylpentanoylamino)phenyl]-3-methylsulfonylbenzamide
CID 25471452
N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide
CID 24667735
N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 138999302
N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide
CID 24667783
N-[2-chloro-4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]-3-methylsulfonylbenzamide
CID 24667824
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
N-[2-chloro-4-[2-(4-methylphenoxy)propanoylamino]phenyl]-3-methylsulfonylbenzamide
CID 24667792
N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24624578
N-[2-chloro-4-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]phenyl]-3-methylsulfonylbenzamide
CID 24667870
N-[2-chloro-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenyl]-3-methylsulfonylbenzamide
CID 35350015

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide (CID 24668370) is N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3sccc3-n3cccc3)cc2Cl)c1.
What is the InChIKey of N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is GWDKSMPJROWGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4S2/c1-33(30,31)17-6-4-5-15(13-17)22(28)26-19-8-7-16(14-18(19)24)25-23(29)21-20(9-12-32-21)27-10-2-3-11-27/h2-14H,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 500.00 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 24668370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).