N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide

C15H16N2O3S — CID 18126266

IUPACN-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)Nc1ccccc1O
InChIInChI=1S/C15H16N2O3S/c18-13-5-2-1-4-12(13)17-14(19)6-3-8-16-15(20)11-7-9-21-10-11/h1-2,4-5,7,9-10,18H,3,6,8H2,(H,16,20)(H,17,19)
InChIKeyRKAVOXBNNJLPTC-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.60
Rot. Bonds6

About N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide

N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 18126266) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
PubChem CID18126266
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)Nc1ccccc1O
InChIInChI=1S/C15H16N2O3S/c18-13-5-2-1-4-12(13)17-14(19)6-3-8-16-15(20)11-7-9-21-10-11/h1-2,4-5,7,9-10,18H,3,6,8H2,(H,16,20)(H,17,19)
InChIKeyRKAVOXBNNJLPTC-UHFFFAOYSA-N
XLogP2.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide
CID 47378451
N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30268724
N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191676
N-[4-(2,6-dimethylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191802
N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
N-[4-oxo-4-(2-phenylethylamino)butyl]thiophene-3-carboxamide
CID 18108696
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-[4-(5-chloro-2-phenoxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 55375845
N-[3-(5-tert-butyl-2-hydroxyanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 29265430
N-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 30300204
N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17498578
N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide
CID 55833499

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide (CID 18126266) is N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide is O=C(CCCNC(=O)c1ccsc1)Nc1ccccc1O.
What is the InChIKey of N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is RKAVOXBNNJLPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-13-5-2-1-4-12(13)17-14(19)6-3-8-16-15(20)11-7-9-21-10-11/h1-2,4-5,7,9-10,18H,3,6,8H2,(H,16,20)(H,17,19).
What are the key properties of N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide?
N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 18126266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).