(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide

C20H28N2O4S — CID 110351295

IUPAC(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C20H28N2O4S/c1-14(2)12-19(20(23)21-13-17-6-5-11-26-17)22-27(24,25)18-9-7-16(8-10-18)15(3)4/h5-11,14-15,19,22H,12-13H2,1-4H3,(H,21,23)/t19-/m0/s1
InChIKeyIXPUPENTBTZTHF-IBGZPJMESA-N
MW392.52 g/mol
LogP3.41
Rot. Bonds9

About (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide

(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide (PubChem CID 110351295) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide
PubChem CID110351295
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C20H28N2O4S/c1-14(2)12-19(20(23)21-13-17-6-5-11-26-17)22-27(24,25)18-9-7-16(8-10-18)15(3)4/h5-11,14-15,19,22H,12-13H2,1-4H3,(H,21,23)/t19-/m0/s1
InChIKeyIXPUPENTBTZTHF-IBGZPJMESA-N
XLogP3.41
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351292
(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid
CID 61155878
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 1093339
methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351273
(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351223
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 18160117
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide
CID 110351242
N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891194
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanamide
CID 42703821
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide (CID 110351295) is (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide is CC(C)C[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide?
The InChIKey is IXPUPENTBTZTHF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-14(2)12-19(20(23)21-13-17-6-5-11-26-17)22-27(24,25)18-9-7-16(8-10-18)15(3)4/h5-11,14-15,19,22H,12-13H2,1-4H3,(H,21,23)/t19-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide?
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide has a molecular weight of 392.52 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 110351295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).