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

C18H21ClN2O4S — CID 27646822

IUPACN-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-25-16-6-8-17(9-7-16)26(23,24)21-13-11-18(22)20-12-10-14-2-4-15(19)5-3-14/h2-9,21H,10-13H2,1H3,(H,20,22)
InChIKeyLEEWDYKPEWUZFR-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.38
Rot. Bonds9

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

N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 27646822) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID27646822
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-25-16-6-8-17(9-7-16)26(23,24)21-13-11-18(22)20-12-10-14-2-4-15(19)5-3-14/h2-9,21H,10-13H2,1H3,(H,20,22)
InChIKeyLEEWDYKPEWUZFR-UHFFFAOYSA-N
XLogP2.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24538291
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
N-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2385556
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 5154817
3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108574321
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 35509180
3-[(4-methoxyphenyl)sulfonylamino]-N-nonylpropanamide
CID 43052252
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2634604
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 27646822) is N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is LEEWDYKPEWUZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-25-16-6-8-17(9-7-16)26(23,24)21-13-11-18(22)20-12-10-14-2-4-15(19)5-3-14/h2-9,21H,10-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 396.90 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 27646822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).