4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide

C20H25N3O5S — CID 56527365

IUPAC4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(C(N)=O)c(C)c2)C(C)C)cc1
InChIInChI=1S/C20H25N3O5S/c1-12(2)18(23-29(26,27)16-8-6-15(28-4)7-9-16)20(25)22-14-5-10-17(19(21)24)13(3)11-14/h5-12,18,23H,1-4H3,(H2,21,24)(H,22,25)/t18-/m0/s1
InChIKeyMLTZQGLQHRNTGL-SFHVURJKSA-N
MW419.50 g/mol
LogP2.04
Rot. Bonds8

About 4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide

4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide (PubChem CID 56527365) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide
PubChem CID56527365
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(C(N)=O)c(C)c2)C(C)C)cc1
InChIInChI=1S/C20H25N3O5S/c1-12(2)18(23-29(26,27)16-8-6-15(28-4)7-9-16)20(25)22-14-5-10-17(19(21)24)13(3)11-14/h5-12,18,23H,1-4H3,(H2,21,24)(H,22,25)/t18-/m0/s1
InChIKeyMLTZQGLQHRNTGL-SFHVURJKSA-N
XLogP2.04
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide with MolForge

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Related Compounds

methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate
CID 55940508
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
(2R)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 10363964
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
CID 3383117
tert-butyl N-[2-fluoro-5-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]carbamate
CID 55969183
N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
CID 77038573
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 24536404
(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 24538272
N-[2-(ethylamino)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119508078
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 55938697

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide?
The IUPAC name of 4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide (CID 56527365) is 4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide.
What is the SMILES notation for 4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide?
The canonical SMILES for 4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide is COc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(C(N)=O)c(C)c2)C(C)C)cc1.
What is the InChIKey of 4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide?
The InChIKey is MLTZQGLQHRNTGL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-12(2)18(23-29(26,27)16-8-6-15(28-4)7-9-16)20(25)22-14-5-10-17(19(21)24)13(3)11-14/h5-12,18,23H,1-4H3,(H2,21,24)(H,22,25)/t18-/m0/s1.
What are the key properties of 4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide?
4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide has a molecular weight of 419.50 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide is sourced from PubChem (CID 56527365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).