N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide

C12H16N2O2S — CID 51180198

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
SMILESO=C(CCCNC(=O)c1cccs1)NC1CC1
InChIInChI=1S/C12H16N2O2S/c15-11(14-9-5-6-9)4-1-7-13-12(16)10-3-2-8-17-10/h2-3,8-9H,1,4-7H2,(H,13,16)(H,14,15)
InChIKeyQQOQRXOTNWLBAL-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.54
Rot. Bonds6

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

N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 51180198) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
PubChem CID51180198
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
SMILESO=C(CCCNC(=O)c1cccs1)NC1CC1
InChIInChI=1S/C12H16N2O2S/c15-11(14-9-5-6-9)4-1-7-13-12(16)10-3-2-8-17-10/h2-3,8-9H,1,4-7H2,(H,13,16)(H,14,15)
InChIKeyQQOQRXOTNWLBAL-UHFFFAOYSA-N
XLogP1.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 33295067
N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 26110881
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
N-[4-[[1-(2-methoxyphenyl)piperidin-3-yl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 86965609
N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119428252
N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 120598256
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 104927828
N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide
CID 112727989
N-[3-oxo-3-[4-(3-phenylpropanoylamino)piperidin-1-yl]propyl]thiophene-2-carboxamide
CID 46464329
cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676600

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide (CID 51180198) is N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide is O=C(CCCNC(=O)c1cccs1)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is QQOQRXOTNWLBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-11(14-9-5-6-9)4-1-7-13-12(16)10-3-2-8-17-10/h2-3,8-9H,1,4-7H2,(H,13,16)(H,14,15).
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide?
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 51180198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).