3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide

C20H25ClN2O5S — CID 46414686

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(C(C)NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C20H25ClN2O5S/c1-4-28-18-9-8-15(12-19(18)27-3)14(2)23-20(24)10-11-22-29(25,26)17-7-5-6-16(21)13-17/h5-9,12-14,22H,4,10-11H2,1-3H3,(H,23,24)
InChIKeyGAWWSJKKKPGMGX-UHFFFAOYSA-N
MW440.95 g/mol
LogP3.29
Rot. Bonds10

About 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide (PubChem CID 46414686) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
PubChem CID46414686
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(C(C)NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C20H25ClN2O5S/c1-4-28-18-9-8-15(12-19(18)27-3)14(2)23-20(24)10-11-22-29(25,26)17-7-5-6-16(21)13-17/h5-9,12-14,22H,4,10-11H2,1-3H3,(H,23,24)
InChIKeyGAWWSJKKKPGMGX-UHFFFAOYSA-N
XLogP3.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 46460934
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24550136
3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127122091
3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide
CID 46515955
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 55843868
3-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide
CID 43006985
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
CID 31443271
3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 55408679
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide (CID 46414686) is 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide is CCOc1ccc(C(C)NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide?
The InChIKey is GAWWSJKKKPGMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-4-28-18-9-8-15(12-19(18)27-3)14(2)23-20(24)10-11-22-29(25,26)17-7-5-6-16(21)13-17/h5-9,12-14,22H,4,10-11H2,1-3H3,(H,23,24).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide has a molecular weight of 440.95 g/mol, XLogP of 3.29, 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-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 46414686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).