4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide

C18H22N2O4S — CID 99842338

IUPAC4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)C)cc2C)cc1
InChIInChI=1S/C18H22N2O4S/c1-12(2)19-18(21)14-5-10-17(13(3)11-14)20-25(22,23)16-8-6-15(24-4)7-9-16/h5-12,20H,1-4H3,(H,19,21)
InChIKeyWTZRBDBIJAVFPD-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.94
Rot. Bonds6

About 4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide

4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide (PubChem CID 99842338) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide
PubChem CID99842338
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)C)cc2C)cc1
InChIInChI=1S/C18H22N2O4S/c1-12(2)19-18(21)14-5-10-17(13(3)11-14)20-25(22,23)16-8-6-15(24-4)7-9-16/h5-12,20H,1-4H3,(H,19,21)
InChIKeyWTZRBDBIJAVFPD-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132671525
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132616821
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062773
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 133186498
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 94016012
N-[1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770080
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670931
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide
CID 46764267
4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide
CID 28571796
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide (CID 99842338) is 4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide is COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)C)cc2C)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide?
The InChIKey is WTZRBDBIJAVFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12(2)19-18(21)14-5-10-17(13(3)11-14)20-25(22,23)16-8-6-15(24-4)7-9-16/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of 4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide?
4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 99842338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).