N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide

C16H16N2O2S — CID 31518537

IUPACN-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCC2)c1)c1cccs1
InChIInChI=1S/C16H16N2O2S/c19-15(11-4-1-5-11)17-12-6-2-7-13(10-12)18-16(20)14-8-3-9-21-14/h2-3,6-11H,1,4-5H2,(H,17,19)(H,18,20)
InChIKeyGLJAMBBDXWHXOO-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.74
Rot. Bonds4

About N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide

N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide (PubChem CID 31518537) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
PubChem CID31518537
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCC2)c1)c1cccs1
InChIInChI=1S/C16H16N2O2S/c19-15(11-4-1-5-11)17-12-6-2-7-13(10-12)18-16(20)14-8-3-9-21-14/h2-3,6-11H,1,4-5H2,(H,17,19)(H,18,20)
InChIKeyGLJAMBBDXWHXOO-UHFFFAOYSA-N
XLogP3.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
N-[3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120984691
(2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 120619627
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 38325683
1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46513393
N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119759063
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide
CID 46408776
N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide
CID 75471137
N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24653539
1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide
CID 55515725

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide (CID 31518537) is N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(NC(=O)C2CCC2)c1)c1cccs1.
What is the InChIKey of N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is GLJAMBBDXWHXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15(11-4-1-5-11)17-12-6-2-7-13(10-12)18-16(20)14-8-3-9-21-14/h2-3,6-11H,1,4-5H2,(H,17,19)(H,18,20).
What are the key properties of N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide?
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 31518537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).