2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide

C21H27ClN2O5S — CID 43870976

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide
SMILESCCOCCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C21H27ClN2O5S/c1-3-29-13-7-12-23-21(25)19(14-16-8-5-4-6-9-16)24-30(26,27)17-10-11-20(28-2)18(22)15-17/h4-6,8-11,15,19,24H,3,7,12-14H2,1-2H3,(H,23,25)
InChIKeyFIGWBQPBBAJRRW-UHFFFAOYSA-N
MW454.98 g/mol
LogP2.78
Rot. Bonds12

About 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide

2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide (PubChem CID 43870976) has the molecular formula C21H27ClN2O5S and a molecular weight of 454.98 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide
PubChem CID43870976
Molecular FormulaC21H27ClN2O5S
Molecular Weight454.98 g/mol
Exact Mass454.13
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide
SMILESCCOCCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C21H27ClN2O5S/c1-3-29-13-7-12-23-21(25)19(14-16-8-5-4-6-9-16)24-30(26,27)17-10-11-20(28-2)18(22)15-17/h4-6,8-11,15,19,24H,3,7,12-14H2,1-2H3,(H,23,25)
InChIKeyFIGWBQPBBAJRRW-UHFFFAOYSA-N
XLogP2.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 28538957
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870877
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 30143159
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 43874789
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 30143287
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 30166393
(2S)-N-tert-butyl-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538888
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 43871015
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide
CID 30166351
(2S)-N-butyl-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541468
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide
CID 94860896
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)-3-phenylpropanamide
CID 30166400

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide (CID 43870976) is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide is CCOCCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide?
The InChIKey is FIGWBQPBBAJRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O5S/c1-3-29-13-7-12-23-21(25)19(14-16-8-5-4-6-9-16)24-30(26,27)17-10-11-20(28-2)18(22)15-17/h4-6,8-11,15,19,24H,3,7,12-14H2,1-2H3,(H,23,25).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide?
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide has a molecular weight of 454.98 g/mol, XLogP of 2.78, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-ethoxypropyl)-3-phenylpropanamide is sourced from PubChem (CID 43870976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).