3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide

C22H22N2O3S — CID 19062382

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-11-13-21(14-12-16)28(26,27)24-20-10-6-9-19(15-20)22(25)23-17(2)18-7-4-3-5-8-18/h3-15,17,24H,1-2H3,(H,23,25)
InChIKeyMYYHNYJPDXVKRD-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.29
Rot. Bonds6

About 3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide

3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide (PubChem CID 19062382) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
PubChem CID19062382
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-11-13-21(14-12-16)28(26,27)24-20-10-6-9-19(15-20)22(25)23-17(2)18-7-4-3-5-8-18/h3-15,17,24H,1-2H3,(H,23,25)
InChIKeyMYYHNYJPDXVKRD-UHFFFAOYSA-N
XLogP4.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 28576591
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657574
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 24635649
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 1263190
3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2079648
3-(benzenesulfonamido)-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 99955648
N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132671557

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide (CID 19062382) is 3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
The InChIKey is MYYHNYJPDXVKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-11-13-21(14-12-16)28(26,27)24-20-10-6-9-19(15-20)22(25)23-17(2)18-7-4-3-5-8-18/h3-15,17,24H,1-2H3,(H,23,25).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 19062382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).