(2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide

C19H26N2O4S — CID 110351292

IUPAC(2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C19H26N2O4S/c1-13(2)10-17(19(22)20-12-16-6-5-9-25-16)21-26(23,24)18-8-7-14(3)11-15(18)4/h5-9,11,13,17,21H,10,12H2,1-4H3,(H,20,22)/t17-/m0/s1
InChIKeyPTROHZOTWUYTMS-KRWDZBQOSA-N
MW378.49 g/mol
LogP2.91
Rot. Bonds8

About (2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide

(2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide (PubChem CID 110351292) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is (2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide
PubChem CID110351292
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name(2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C19H26N2O4S/c1-13(2)10-17(19(22)20-12-16-6-5-9-25-16)21-26(23,24)18-8-7-14(3)11-15(18)4/h5-9,11,13,17,21H,10,12H2,1-4H3,(H,20,22)/t17-/m0/s1
InChIKeyPTROHZOTWUYTMS-KRWDZBQOSA-N
XLogP2.91
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide
CID 110351295
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 3262204
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide
CID 110351242
(2R)-N-(furan-2-ylmethyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7476998
(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351223
methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351273
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide
CID 110351245
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535095
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pentanamide
CID 55748591
(2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831660
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylpropyl)pentanamide
CID 43010794

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide (CID 110351292) is (2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide is Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc2ccco2)c(C)c1.
What is the InChIKey of (2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide?
The InChIKey is PTROHZOTWUYTMS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-13(2)10-17(19(22)20-12-16-6-5-9-25-16)21-26(23,24)18-8-7-14(3)11-15(18)4/h5-9,11,13,17,21H,10,12H2,1-4H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide?
(2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide has a molecular weight of 378.49 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide is sourced from PubChem (CID 110351292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).