5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide

C18H20N2O2S — CID 39976085

IUPAC5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(NC(=O)C2CC2)s1)c1ccccc1C
InChIInChI=1S/C18H20N2O2S/c1-3-20(14-7-5-4-6-12(14)2)18(22)15-10-11-16(23-15)19-17(21)13-8-9-13/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,19,21)
InChIKeyUQEMBSWEDOSQFI-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.07
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide (PubChem CID 39976085) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide
PubChem CID39976085
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(NC(=O)C2CC2)s1)c1ccccc1C
InChIInChI=1S/C18H20N2O2S/c1-3-20(14-7-5-4-6-12(14)2)18(22)15-10-11-16(23-15)19-17(21)13-8-9-13/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,19,21)
InChIKeyUQEMBSWEDOSQFI-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Ethylphenyl)-2-thiophenecarboxamide
CID 765411
N-(2,6-dimethylphenyl)[1-(2-thienylcarbonyl)(4-piperidyl)]carboxamide
CID 1075575
N-(5-Methyl-2-thienyl)benzamide
CID 570111
N-(4,5-dimethylthiophen-2-yl)benzamide
CID 570162
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 71714379
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
N-{4-[(cyclopropylcarbonyl)amino]-2-methylphenyl}thiophene-2-carboxamide
CID 977091
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
4-[[2-[Ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
CID 4848136
N-(3-Methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5147248

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide (CID 39976085) is 5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide is CCN(C(=O)c1ccc(NC(=O)C2CC2)s1)c1ccccc1C.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is UQEMBSWEDOSQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-20(14-7-5-4-6-12(14)2)18(22)15-10-11-16(23-15)19-17(21)13-8-9-13/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,19,21).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-ethyl-N-(2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 39976085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).