3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide

C20H22ClNO3S — CID 55592271

IUPAC3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C20H22ClNO3S/c1-15-2-4-16(5-3-15)14-22(18-8-9-18)20(23)12-13-26(24,25)19-10-6-17(21)7-11-19/h2-7,10-11,18H,8-9,12-14H2,1H3
InChIKeyCBERUMYOUFHQHN-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.00
Rot. Bonds7

About 3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide

3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 55592271) has the molecular formula C20H22ClNO3S and a molecular weight of 391.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
PubChem CID55592271
Molecular FormulaC20H22ClNO3S
Molecular Weight391.92 g/mol
Exact Mass391.10
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C20H22ClNO3S/c1-15-2-4-16(5-3-15)14-22(18-8-9-18)20(23)12-13-26(24,25)19-10-6-17(21)7-11-19/h2-7,10-11,18H,8-9,12-14H2,1H3
InChIKeyCBERUMYOUFHQHN-UHFFFAOYSA-N
XLogP4.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 34441922
N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 9479145
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9440257
N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide
CID 78782531
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide
CID 8964829
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 19114652
N-(1-benzoylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
CID 46107971
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide
CID 55371960
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 55929412
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide (CID 55592271) is 3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)C2CC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is CBERUMYOUFHQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3S/c1-15-2-4-16(5-3-15)14-22(18-8-9-18)20(23)12-13-26(24,25)19-10-6-17(21)7-11-19/h2-7,10-11,18H,8-9,12-14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide?
3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 391.92 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 55592271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).