N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide

C20H32N2O3S — CID 97259631

IUPACN-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide
SMILESCSCC[C@H](NC(=O)c1ccco1)C(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C20H32N2O3S/c1-19(2)11-14(12-20(3,4)13-19)21-17(23)15(8-10-26-5)22-18(24)16-7-6-9-25-16/h6-7,9,14-15H,8,10-13H2,1-5H3,(H,21,23)(H,22,24)/t15-/m0/s1
InChIKeyRFDWAINOUMFMTQ-HNNXBMFYSA-N
MW380.55 g/mol
LogP3.85
Rot. Bonds7

About N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide

N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide (PubChem CID 97259631) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide
PubChem CID97259631
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide
SMILESCSCC[C@H](NC(=O)c1ccco1)C(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C20H32N2O3S/c1-19(2)11-14(12-20(3,4)13-19)21-17(23)15(8-10-26-5)22-18(24)16-7-6-9-25-16/h6-7,9,14-15H,8,10-13H2,1-5H3,(H,21,23)(H,22,24)/t15-/m0/s1
InChIKeyRFDWAINOUMFMTQ-HNNXBMFYSA-N
XLogP3.85
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26615693
N-[(2S)-4-methylsulfanyl-1-oxo-1-[[(2R)-2-phenylpropyl]amino]butan-2-yl]furan-2-carboxamide
CID 31116257
N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 2438761
N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7872328
N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide
CID 17459688
N-[(2S)-4-methylsulfanyl-1-oxo-1-(4-pyrrolidin-1-ylanilino)butan-2-yl]furan-2-carboxamide
CID 42146908
N-[4-methylsulfanyl-1-oxo-1-(1H-1,2,4-triazol-5-ylamino)butan-2-yl]furan-2-carboxamide
CID 42954275
N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 27662277
N-[(2S)-1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7987573
N-[(2R)-1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7987574
N-[(2S)-1-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 38769946
N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51938735

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide (CID 97259631) is N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide is CSCC[C@H](NC(=O)c1ccco1)C(=O)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide?
The InChIKey is RFDWAINOUMFMTQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-19(2)11-14(12-20(3,4)13-19)21-17(23)15(8-10-26-5)22-18(24)16-7-6-9-25-16/h6-7,9,14-15H,8,10-13H2,1-5H3,(H,21,23)(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide?
N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide has a molecular weight of 380.55 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 97259631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).