N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide

C18H16ClN3O3S2 — CID 169144997

IUPACN-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1cccnc1-c1csc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C18H16ClN3O3S2/c1-11-4-3-5-20-17(11)12-6-16(26-10-12)18(23)21-14-7-13(19)8-15(9-14)22-27(2,24)25/h3-10,22H,1-2H3,(H,21,23)
InChIKeyVDGNPEFFHQRGOP-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.40
Rot. Bonds5

About N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide

N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 169144997) has the molecular formula C18H16ClN3O3S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
PubChem CID169144997
Molecular FormulaC18H16ClN3O3S2
Molecular Weight421.93 g/mol
Exact Mass421.03
IUPAC NameN-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1cccnc1-c1csc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C18H16ClN3O3S2/c1-11-4-3-5-20-17(11)12-6-16(26-10-12)18(23)21-14-7-13(19)8-15(9-14)22-27(2,24)25/h3-10,22H,1-2H3,(H,21,23)
InChIKeyVDGNPEFFHQRGOP-UHFFFAOYSA-N
XLogP4.40
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-5-(2-pyridinyl)-2-thiophenecarboxamide
CID 2819703
N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10021461
N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide
CID 24830569
4-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonyl-(pyridin-2-ylmethyl)amino]-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide
CID 11215320
US20240316047, Example 76
CID 169144391
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-pyridin-2-ylsulfanylethyl)benzamide
CID 2240335
5-(5-((4-chlorobenzylamino)methyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 44418174
5-(5-((2-chlorobenzylamino)methyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 44418180
5-(5-((2-chlorophenethylamino)methyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 44418241
2-(benzylsulfonylamino)-N-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-4-(1-oxidopyridin-1-ium-2-yl)butanamide
CID 44426221
2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(thiophen-2-ylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 44591639
7-(6-chloro-2-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
CID 56683910

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide (CID 169144997) is N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide is Cc1cccnc1-c1csc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)c1.
What is the InChIKey of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is VDGNPEFFHQRGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S2/c1-11-4-3-5-20-17(11)12-6-16(26-10-12)18(23)21-14-7-13(19)8-15(9-14)22-27(2,24)25/h3-10,22H,1-2H3,(H,21,23).
What are the key properties of N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide?
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methyl-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 169144997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).