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

C18H18N4O3S2 — CID 24830882

IUPACN-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(N)c3)cs2)c1
InChIInChI=1S/C18H18N4O3S2/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,(H2,19,20)(H,21,23)
InChIKeyCWFBWCJRVBRKPQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.94
Rot. Bonds6

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

N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide (PubChem CID 24830882) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide
PubChem CID24830882
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(N)c3)cs2)c1
InChIInChI=1S/C18H18N4O3S2/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,(H2,19,20)(H,21,23)
InChIKeyCWFBWCJRVBRKPQ-UHFFFAOYSA-N
XLogP2.94
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide (CID 24830882) is N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(N)c3)cs2)c1.
What is the InChIKey of N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide?
The InChIKey is CWFBWCJRVBRKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/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,(H2,19,20)(H,21,23).
What are the key properties of N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide?
N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 24830882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).