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

C19H23ClN2O5S — CID 2557119

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H23ClN2O5S/c1-26-17-7-6-14(12-18(17)27-2)8-10-21-19(23)9-11-22-28(24,25)16-5-3-4-15(20)13-16/h3-7,12-13,22H,8-11H2,1-2H3,(H,21,23)
InChIKeyYUKHYTBCDLCQGA-UHFFFAOYSA-N
MW426.92 g/mol
LogP2.38
Rot. Bonds10

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

3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 2557119) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID2557119
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H23ClN2O5S/c1-26-17-7-6-14(12-18(17)27-2)8-10-21-19(23)9-11-22-28(24,25)16-5-3-4-15(20)13-16/h3-7,12-13,22H,8-11H2,1-2H3,(H,21,23)
InChIKeyYUKHYTBCDLCQGA-UHFFFAOYSA-N
XLogP2.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 1728984
CID 1728984
CID 54584641
CID 54584641
CID 1129595
CID 1129595
CID 1319149
CID 1319149
CID 648919
CID 648919
CID 984502
CID 984502
CID 1077690
CID 1077690
CID 1728898
CID 1728898
CID 2963999
CID 2963999
CID 2968136
CID 2968136
CID 2968274
CID 2968274
CID 3304983
CID 3304983

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 2557119) is 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is YUKHYTBCDLCQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-26-17-7-6-14(12-18(17)27-2)8-10-21-19(23)9-11-22-28(24,25)16-5-3-4-15(20)13-16/h3-7,12-13,22H,8-11H2,1-2H3,(H,21,23).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 426.92 g/mol, XLogP of 2.38, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 2557119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).