(2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide

C18H22N2O4S — CID 7473390

IUPAC(2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H22N2O4S/c1-12-5-6-13(2)17(11-12)19-18(21)14(3)20-25(22,23)16-9-7-15(24-4)8-10-16/h5-11,14,20H,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyLCIDYUGAILZTJK-AWEZNQCLSA-N
MW362.45 g/mol
LogP2.62
Rot. Bonds6

About (2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide

(2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 7473390) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID7473390
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H22N2O4S/c1-12-5-6-13(2)17(11-12)19-18(21)14(3)20-25(22,23)16-9-7-15(24-4)8-10-16/h5-11,14,20H,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyLCIDYUGAILZTJK-AWEZNQCLSA-N
XLogP2.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473389
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
(2R)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 1210914
(2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55950157
(2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55939174
N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24640543
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 719385
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
(2S)-N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 2224879
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 4552394
(2,5-dimethylphenyl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55928256
(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124549862

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 7473390) is (2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of (2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is LCIDYUGAILZTJK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12-5-6-13(2)17(11-12)19-18(21)14(3)20-25(22,23)16-9-7-15(24-4)8-10-16/h5-11,14,20H,1-4H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
(2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 362.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 7473390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).