N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

C18H21ClN2O3S — CID 7872328

IUPACN-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCSCC[C@H](NC(=O)c1ccco1)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-25-12-9-15(21-18(23)16-3-2-11-24-16)17(22)20-10-8-13-4-6-14(19)7-5-13/h2-7,11,15H,8-10,12H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyFOWNURLWCJSRJC-HNNXBMFYSA-N
MW380.90 g/mol
LogP3.14
Rot. Bonds9

About N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 7872328) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID7872328
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCSCC[C@H](NC(=O)c1ccco1)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-25-12-9-15(21-18(23)16-3-2-11-24-16)17(22)20-10-8-13-4-6-14(19)7-5-13/h2-7,11,15H,8-10,12H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyFOWNURLWCJSRJC-HNNXBMFYSA-N
XLogP3.14
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chloro-4-fluoroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24597987
N-[(2S)-4-methylsulfanyl-1-oxo-1-[[(2R)-2-phenylpropyl]amino]butan-2-yl]furan-2-carboxamide
CID 31116257
N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide
CID 17459688
N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 86970217
N-[(2R)-4-methylsulfanyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)butan-2-yl]furan-2-carboxamide
CID 37393255
4-ethyl-N-[4-methylsulfanyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2973766
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)-4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 27662277
N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 43067597
N-[(2R)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 2438761
N-[(2S)-4-methylsulfanyl-1-oxo-1-[(3,3,5,5-tetramethylcyclohexyl)amino]butan-2-yl]furan-2-carboxamide
CID 97259631
N-[(2R)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26615693

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 7872328) is N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is CSCC[C@H](NC(=O)c1ccco1)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is FOWNURLWCJSRJC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-25-12-9-15(21-18(23)16-3-2-11-24-16)17(22)20-10-8-13-4-6-14(19)7-5-13/h2-7,11,15H,8-10,12H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 380.90 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 7872328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).