(2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide

C19H24N2O3S — CID 102010985

IUPAC(2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide
SMILESCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-3-4-14-20-19(22)18(16-8-6-5-7-9-16)21-25(23,24)17-12-10-15(2)11-13-17/h5-13,18,21H,3-4,14H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyQCUVHXBBQOBQGZ-GOSISDBHSA-N
MW360.48 g/mol
LogP2.93
Rot. Bonds8

About (2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide

(2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide (PubChem CID 102010985) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide
PubChem CID102010985
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name(2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide
SMILESCCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-3-4-14-20-19(22)18(16-8-6-5-7-9-16)21-25(23,24)17-12-10-15(2)11-13-17/h5-13,18,21H,3-4,14H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyQCUVHXBBQOBQGZ-GOSISDBHSA-N
XLogP2.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 4624697
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015
ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
CID 3703536
ethylsulfanyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67587191
ethyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 13360721
ethyl 2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 11089671
ethyl 2-[(4-butoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3688454
4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide
CID 102415816
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
(2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40601003
methyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 14352064

Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide?
The IUPAC name of (2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide (CID 102010985) is (2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide is CCCCNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide?
The InChIKey is QCUVHXBBQOBQGZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-4-14-20-19(22)18(16-8-6-5-7-9-16)21-25(23,24)17-12-10-15(2)11-13-17/h5-13,18,21H,3-4,14H2,1-2H3,(H,20,22)/t18-/m1/s1.
What are the key properties of (2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide?
(2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide has a molecular weight of 360.48 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide is sourced from PubChem (CID 102010985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).