5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide

C12H16N2O2S — CID 18135400

IUPAC5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C12H16N2O2S/c1-7(2)13-12(16)9-5-6-10(17-9)14-11(15)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyAELVEQHPTDOGCQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.23
Rot. Bonds4

About 5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 18135400) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID18135400
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C12H16N2O2S/c1-7(2)13-12(16)9-5-6-10(17-9)14-11(15)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyAELVEQHPTDOGCQ-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
CID 60712496
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
CID 43172671
5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 25487382
5-(cyclopropanecarbonylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
CID 103722934
5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide
CID 86848327
5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 42889154
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892
N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86891991
5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878168
N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 86998485

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide (CID 18135400) is 5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide is CC(C)NC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is AELVEQHPTDOGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-7(2)13-12(16)9-5-6-10(17-9)14-11(15)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 18135400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).