5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide

C15H22N2O2S — CID 115612892

IUPAC5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
SMILESCCC(CC)CNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C15H22N2O2S/c1-3-10(4-2)9-16-15(19)12-7-8-13(20-12)17-14(18)11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNGDLQUTWGFOROV-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.26
Rot. Bonds7

About 5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide (PubChem CID 115612892) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
PubChem CID115612892
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
SMILESCCC(CC)CNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C15H22N2O2S/c1-3-10(4-2)9-16-15(19)12-7-8-13(20-12)17-14(18)11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyNGDLQUTWGFOROV-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid
CID 107832422
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173156
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
CID 43172671
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid
CID 64671529
5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide
CID 115668905
N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 115612504
methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
CID 60712496
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid
CID 43356222
5-(cyclopropanecarbonylamino)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]thiophene-2-carboxamide
CID 17492769

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide (CID 115612892) is 5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide is CCC(CC)CNC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide?
The InChIKey is NGDLQUTWGFOROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-10(4-2)9-16-15(19)12-7-8-13(20-12)17-14(18)11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 115612892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).