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

C17H18N2O2S — CID 35277399

IUPAC5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide
SMILESCCc1cc(C(N)=O)c(NC(=O)[C@H]2C[C@H]2c2ccccc2)s1
InChIInChI=1S/C17H18N2O2S/c1-2-11-8-14(15(18)20)17(22-11)19-16(21)13-9-12(13)10-6-4-3-5-7-10/h3-8,12-13H,2,9H2,1H3,(H2,18,20)(H,19,21)/t12-,13-/m0/s1
InChIKeyGBIPSPLBDOKUGS-STQMWFEESA-N
MW314.41 g/mol
LogP3.15
Rot. Bonds5

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

5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide (PubChem CID 35277399) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide
PubChem CID35277399
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide
SMILESCCc1cc(C(N)=O)c(NC(=O)[C@H]2C[C@H]2c2ccccc2)s1
InChIInChI=1S/C17H18N2O2S/c1-2-11-8-14(15(18)20)17(22-11)19-16(21)13-9-12(13)10-6-4-3-5-7-10/h3-8,12-13H,2,9H2,1H3,(H2,18,20)(H,19,21)/t12-,13-/m0/s1
InChIKeyGBIPSPLBDOKUGS-STQMWFEESA-N
XLogP3.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5-methyl-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide
CID 898789
(1R,6R)-6-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27519842
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
2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide
CID 35523946
(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
cis-(1R,2S)-N-[(Z)-1-(5-ethylthiophen-2-yl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40585229
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 58155377
cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 11902701
2-phenyl-N-[5-[4-[5-[(2-phenylcyclopropanecarbonyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 123729437
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide (CID 35277399) is 5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide is CCc1cc(C(N)=O)c(NC(=O)[C@H]2C[C@H]2c2ccccc2)s1.
What is the InChIKey of 5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide?
The InChIKey is GBIPSPLBDOKUGS-STQMWFEESA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-2-11-8-14(15(18)20)17(22-11)19-16(21)13-9-12(13)10-6-4-3-5-7-10/h3-8,12-13H,2,9H2,1H3,(H2,18,20)(H,19,21)/t12-,13-/m0/s1.
What are the key properties of 5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide?
5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 35277399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).