3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide

C19H24N2O4S — CID 54415664

IUPAC3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(N)C(C)(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,18(22)21-13-14-7-5-4-6-8-14)17(20)26(23,24)16-11-9-15(25-3)10-12-16/h4-12,17H,13,20H2,1-3H3,(H,21,22)
InChIKeyVXFNVEWSMPMPGP-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.10
Rot. Bonds7

About 3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide

3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide (PubChem CID 54415664) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide
PubChem CID54415664
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(N)C(C)(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,18(22)21-13-14-7-5-4-6-8-14)17(20)26(23,24)16-11-9-15(25-3)10-12-16/h4-12,17H,13,20H2,1-3H3,(H,21,22)
InChIKeyVXFNVEWSMPMPGP-UHFFFAOYSA-N
XLogP2.10
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 62489084
3-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-7-phenylheptanoic acid
CID 18790103
3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide
CID 67707570
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
(2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide
CID 142702802
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
methyl 3-(benzylamino)-2,2-dimethyl-3-oxopropanoate
CID 15185516
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 17418244
1-[4-(benzenesulfonyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824686
ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate
CID 10948439

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide (CID 54415664) is 3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide is COc1ccc(S(=O)(=O)C(N)C(C)(C)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of 3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide?
The InChIKey is VXFNVEWSMPMPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-19(2,18(22)21-13-14-7-5-4-6-8-14)17(20)26(23,24)16-11-9-15(25-3)10-12-16/h4-12,17H,13,20H2,1-3H3,(H,21,22).
What are the key properties of 3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide?
3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide has a molecular weight of 376.48 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide is sourced from PubChem (CID 54415664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).