N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide

C18H16ClN3O3S2 — CID 24830569

IUPACN-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(Cl)c3)cs2)c1
InChIInChI=1S/C18H16ClN3O3S2/c1-27(24,25)22-15-4-2-3-12(7-15)8-17(23)21-18-10-14(11-26-18)13-5-6-20-16(19)9-13/h2-7,9-11,22H,8H2,1H3,(H,21,23)
InChIKeyXOVHPPILLSHRPS-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.02
Rot. Bonds6

About N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide

N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide (PubChem CID 24830569) has the molecular formula C18H16ClN3O3S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide
PubChem CID24830569
Molecular FormulaC18H16ClN3O3S2
Molecular Weight421.93 g/mol
Exact Mass421.03
IUPAC NameN-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(Cl)c3)cs2)c1
InChIInChI=1S/C18H16ClN3O3S2/c1-27(24,25)22-15-4-2-3-12(7-15)8-17(23)21-18-10-14(11-26-18)13-5-6-20-16(19)9-13/h2-7,9-11,22H,8H2,1H3,(H,21,23)
InChIKeyXOVHPPILLSHRPS-UHFFFAOYSA-N
XLogP4.02
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide (CID 24830569) is N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(Cl)c3)cs2)c1.
What is the InChIKey of N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide?
The InChIKey is XOVHPPILLSHRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S2/c1-27(24,25)22-15-4-2-3-12(7-15)8-17(23)21-18-10-14(11-26-18)13-5-6-20-16(19)9-13/h2-7,9-11,22H,8H2,1H3,(H,21,23).
What are the key properties of N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide?
N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide has a molecular weight of 421.93 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 24830569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).