N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide

C18H15N3O2S2 — CID 19298764

IUPACN-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(CSc1cccc(NC(=O)c2cccs2)c1)Nc1ccncc1
InChIInChI=1S/C18H15N3O2S2/c22-17(20-13-6-8-19-9-7-13)12-25-15-4-1-3-14(11-15)21-18(23)16-5-2-10-24-16/h1-11H,12H2,(H,21,23)(H,19,20,22)
InChIKeyBWWFLRVFPBCRBL-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.13
Rot. Bonds6

About N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide

N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 19298764) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID19298764
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC NameN-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(CSc1cccc(NC(=O)c2cccs2)c1)Nc1ccncc1
InChIInChI=1S/C18H15N3O2S2/c22-17(20-13-6-8-19-9-7-13)12-25-15-4-1-3-14(11-15)21-18(23)16-5-2-10-24-16/h1-11H,12H2,(H,21,23)(H,19,20,22)
InChIKeyBWWFLRVFPBCRBL-UHFFFAOYSA-N
XLogP4.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298761
N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906203
N-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906207
N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298769
N-[3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]phenyl]thiophene-2-carboxamide
CID 31516052
N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906235
N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18911138
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22775651
N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22778473
N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18900306
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-pyridin-4-ylacetamide
CID 19318230
N-[3-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 5018636

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide (CID 19298764) is N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide is O=C(CSc1cccc(NC(=O)c2cccs2)c1)Nc1ccncc1.
What is the InChIKey of N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is BWWFLRVFPBCRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c22-17(20-13-6-8-19-9-7-13)12-25-15-4-1-3-14(11-15)21-18(23)16-5-2-10-24-16/h1-11H,12H2,(H,21,23)(H,19,20,22).
What are the key properties of N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide?
N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19298764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).