N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide

C18H22N2O4S — CID 120569069

IUPACN-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)CC(C)C(=O)Nc2cc(N)ccc2C)cc1
InChIInChI=1S/C18H22N2O4S/c1-12-4-5-14(19)10-17(12)20-18(21)13(2)11-25(22,23)16-8-6-15(24-3)7-9-16/h4-10,13H,11,19H2,1-3H3,(H,20,21)
InChIKeyCYLZDDYWYHNIEE-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.63
Rot. Bonds6

About N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide

N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide (PubChem CID 120569069) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
PubChem CID120569069
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)CC(C)C(=O)Nc2cc(N)ccc2C)cc1
InChIInChI=1S/C18H22N2O4S/c1-12-4-5-14(19)10-17(12)20-18(21)13(2)11-25(22,23)16-8-6-15(24-3)7-9-16/h4-10,13H,11,19H2,1-3H3,(H,20,21)
InChIKeyCYLZDDYWYHNIEE-UHFFFAOYSA-N
XLogP2.63
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 119618224
(2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid
CID 119370188
(2R)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid
CID 28753247
N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834
(2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473390
(2R)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473389
3-(ethylamino)-N-(5-methoxy-2-methylphenyl)-2-methylpropanamide
CID 114252727
N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560223
N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide
CID 120568050
N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 119613885
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 719385
2-amino-3-methoxy-N-(5-methoxy-2-methylphenyl)propanamide
CID 114252735

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide (CID 120569069) is N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide is COc1ccc(S(=O)(=O)CC(C)C(=O)Nc2cc(N)ccc2C)cc1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The InChIKey is CYLZDDYWYHNIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12-4-5-14(19)10-17(12)20-18(21)13(2)11-25(22,23)16-8-6-15(24-3)7-9-16/h4-10,13H,11,19H2,1-3H3,(H,20,21).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide has a molecular weight of 362.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 120569069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).