4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide

C18H20N2O2S — CID 898789

IUPAC4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1C(N)=O
InChIInChI=1S/C18H20N2O2S/c1-3-12-10(2)23-18(15(12)16(19)21)20-17(22)14-9-13(14)11-7-5-4-6-8-11/h4-8,13-14H,3,9H2,1-2H3,(H2,19,21)(H,20,22)/t13-,14+/m1/s1
InChIKeyJMYYXVFHHZWQCG-KGLIPLIRSA-N
MW328.44 g/mol
LogP3.46
Rot. Bonds5

About 4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide

4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide (PubChem CID 898789) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide
PubChem CID898789
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1C(N)=O
InChIInChI=1S/C18H20N2O2S/c1-3-12-10(2)23-18(15(12)16(19)21)20-17(22)14-9-13(14)11-7-5-4-6-8-11/h4-8,13-14H,3,9H2,1-2H3,(H2,19,21)(H,20,22)/t13-,14+/m1/s1
InChIKeyJMYYXVFHHZWQCG-KGLIPLIRSA-N
XLogP3.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide
CID 35277399
2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide
CID 28720118
2-[[(1R,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 98289105
2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 2930937
6-ethyl-2-[(2-phenylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5233752
2-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 713215
ethyl 2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1272849
ethyl 2-[(2-phenylcyclopropanecarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2862437
(6R)-6-methyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7118600
6-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2862578
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
(1R,6R)-6-[[4-ethyl-5-methyl-3-(phenylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 27524746

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide (CID 898789) is 4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide is CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1C(N)=O.
What is the InChIKey of 4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide?
The InChIKey is JMYYXVFHHZWQCG-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-12-10(2)23-18(15(12)16(19)21)20-17(22)14-9-13(14)11-7-5-4-6-8-11/h4-8,13-14H,3,9H2,1-2H3,(H2,19,21)(H,20,22)/t13-,14+/m1/s1.
What are the key properties of 4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide?
4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 898789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).