(2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide

C17H21ClN2O4S — CID 110349256

IUPAC(2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C17H21ClN2O4S/c1-12(2)16(17(21)19-10-15-4-3-9-24-15)20-25(22,23)11-13-5-7-14(18)8-6-13/h3-9,12,16,20H,10-11H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyUKZPAOKYRGXAHB-INIZCTEOSA-N
MW384.89 g/mol
LogP2.69
Rot. Bonds8

About (2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide

(2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide (PubChem CID 110349256) has the molecular formula C17H21ClN2O4S and a molecular weight of 384.89 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
PubChem CID110349256
Molecular FormulaC17H21ClN2O4S
Molecular Weight384.89 g/mol
Exact Mass384.09
IUPAC Name(2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C17H21ClN2O4S/c1-12(2)16(17(21)19-10-15-4-3-9-24-15)20-25(22,23)11-13-5-7-14(18)8-6-13/h3-9,12,16,20H,10-11H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyUKZPAOKYRGXAHB-INIZCTEOSA-N
XLogP2.69
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide
CID 110349251
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide
CID 110349260
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111102
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 18160117
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 110349246
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 24619526
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 2222335
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
2,6-difluoro-N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 43011713
2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24542551
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 133237542

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide (CID 110349256) is (2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide is CC(C)[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide?
The InChIKey is UKZPAOKYRGXAHB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21ClN2O4S/c1-12(2)16(17(21)19-10-15-4-3-9-24-15)20-25(22,23)11-13-5-7-14(18)8-6-13/h3-9,12,16,20H,10-11H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide?
(2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide has a molecular weight of 384.89 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide is sourced from PubChem (CID 110349256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).