3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide

C21H25ClN2O5S — CID 32589258

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C2CC2)c(OC)c1
InChIInChI=1S/C21H25ClN2O5S/c1-28-18-9-6-15(20(13-18)29-2)14-24(17-7-8-17)21(25)10-11-23-30(26,27)19-5-3-4-16(22)12-19/h3-6,9,12-13,17,23H,7-8,10-11,14H2,1-2H3
InChIKeyYTMSSDNENYUXDQ-UHFFFAOYSA-N
MW452.96 g/mol
LogP3.22
Rot. Bonds10

About 3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide (PubChem CID 32589258) has the molecular formula C21H25ClN2O5S and a molecular weight of 452.96 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide
PubChem CID32589258
Molecular FormulaC21H25ClN2O5S
Molecular Weight452.96 g/mol
Exact Mass452.12
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C2CC2)c(OC)c1
InChIInChI=1S/C21H25ClN2O5S/c1-28-18-9-6-15(20(13-18)29-2)14-24(17-7-8-17)21(25)10-11-23-30(26,27)19-5-3-4-16(22)12-19/h3-6,9,12-13,17,23H,7-8,10-11,14H2,1-2H3
InChIKeyYTMSSDNENYUXDQ-UHFFFAOYSA-N
XLogP3.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
CID 31443271
3-chloro-N-[3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 121140727
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054992
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55830000
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 47017544
4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 110601508
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 33000051
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
CID 120560197
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 46545952
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33078304
3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 31152143

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide (CID 32589258) is 3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide is COc1ccc(CN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C2CC2)c(OC)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide?
The InChIKey is YTMSSDNENYUXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5S/c1-28-18-9-6-15(20(13-18)29-2)14-24(17-7-8-17)21(25)10-11-23-30(26,27)19-5-3-4-16(22)12-19/h3-6,9,12-13,17,23H,7-8,10-11,14H2,1-2H3.
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide has a molecular weight of 452.96 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 32589258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).