N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide

C19H22ClNO4S — CID 110298420

IUPACN-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
SMILESCC(C)Oc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO4S/c1-14(2)25-17-7-9-18(10-8-17)26(23,24)12-11-19(22)21-13-15-3-5-16(20)6-4-15/h3-10,14H,11-13H2,1-2H3,(H,21,22)
InChIKeyUKLVLFPWWSRXBP-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.61
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide

N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide (PubChem CID 110298420) has the molecular formula C19H22ClNO4S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
PubChem CID110298420
Molecular FormulaC19H22ClNO4S
Molecular Weight395.91 g/mol
Exact Mass395.10
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
SMILESCC(C)Oc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO4S/c1-14(2)25-17-7-9-18(10-8-17)26(23,24)12-11-19(22)21-13-15-3-5-16(20)6-4-15/h3-10,14H,11-13H2,1-2H3,(H,21,22)
InChIKeyUKLVLFPWWSRXBP-UHFFFAOYSA-N
XLogP3.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 53285359
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 34314546
N-[(4-propan-2-yloxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167853
3-(4-tert-butylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 110410220
3-(4-propan-2-yloxyphenyl)sulfonyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110301624
N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43005498
3-(3,4-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 100595712
N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298461
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
CID 54792167
3-(4-chlorophenyl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 55795719

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide (CID 110298420) is N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide is CC(C)Oc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
The InChIKey is UKLVLFPWWSRXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4S/c1-14(2)25-17-7-9-18(10-8-17)26(23,24)12-11-19(22)21-13-15-3-5-16(20)6-4-15/h3-10,14H,11-13H2,1-2H3,(H,21,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide?
N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide has a molecular weight of 395.91 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 110298420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).