2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide

C18H24N4O2S2 — CID 40675733

IUPAC2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
SMILESCc1nc(S[C@H](C)C(=O)Nc2sccc2C(N)=O)n(C2CCCC2)c1C
InChIInChI=1S/C18H24N4O2S2/c1-10-11(2)22(13-6-4-5-7-13)18(20-10)26-12(3)16(24)21-17-14(15(19)23)8-9-25-17/h8-9,12-13H,4-7H2,1-3H3,(H2,19,23)(H,21,24)/t12-/m1/s1
InChIKeyGWICNIPRVXQUIO-GFCCVEGCSA-N
MW392.55 g/mol
LogP3.89
Rot. Bonds6

About 2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide

2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide (PubChem CID 40675733) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
PubChem CID40675733
Molecular FormulaC18H24N4O2S2
Molecular Weight392.55 g/mol
Exact Mass392.13
IUPAC Name2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
SMILESCc1nc(S[C@H](C)C(=O)Nc2sccc2C(N)=O)n(C2CCCC2)c1C
InChIInChI=1S/C18H24N4O2S2/c1-10-11(2)22(13-6-4-5-7-13)18(20-10)26-12(3)16(24)21-17-14(15(19)23)8-9-25-17/h8-9,12-13H,4-7H2,1-3H3,(H2,19,23)(H,21,24)/t12-/m1/s1
InChIKeyGWICNIPRVXQUIO-GFCCVEGCSA-N
XLogP3.89
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2S)-2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 41210615
2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 18141467
(2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide
CID 40657072
2-[2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide
CID 17470986
N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 46625671
(2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 7492295
N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 45354140
(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-ethylpropanamide
CID 40670044
(2S)-N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 40672630
(2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 7492408
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 74605508
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41183132

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide (CID 40675733) is 2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide is Cc1nc(S[C@H](C)C(=O)Nc2sccc2C(N)=O)n(C2CCCC2)c1C.
What is the InChIKey of 2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide?
The InChIKey is GWICNIPRVXQUIO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c1-10-11(2)22(13-6-4-5-7-13)18(20-10)26-12(3)16(24)21-17-14(15(19)23)8-9-25-17/h8-9,12-13H,4-7H2,1-3H3,(H2,19,23)(H,21,24)/t12-/m1/s1.
What are the key properties of 2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide?
2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 40675733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).