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

C20H25ClN2O4S — CID 42990397

IUPAC3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)N(C)C)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-23(2)19(15-4-8-17(27-3)9-5-15)14-22-20(24)12-13-28(25,26)18-10-6-16(21)7-11-18/h4-11,19H,12-14H2,1-3H3,(H,22,24)
InChIKeyZIYQOAMNTXLWDL-UHFFFAOYSA-N
MW424.95 g/mol
LogP2.93
Rot. Bonds9

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

3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 42990397) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID42990397
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)N(C)C)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-23(2)19(15-4-8-17(27-3)9-5-15)14-22-20(24)12-13-28(25,26)18-10-6-16(21)7-11-18/h4-11,19H,12-14H2,1-3H3,(H,22,24)
InChIKeyZIYQOAMNTXLWDL-UHFFFAOYSA-N
XLogP2.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43017141
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110621860
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide
CID 110621812
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 24640206
3-(4-chlorophenyl)sulfonyl-N-[(2S)-2-phenylpropyl]propanamide
CID 9302484
3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide
CID 9302482
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 42987404
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057068
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide
CID 110302068
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43035256

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide (CID 42990397) is 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(C(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)N(C)C)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is ZIYQOAMNTXLWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-23(2)19(15-4-8-17(27-3)9-5-15)14-22-20(24)12-13-28(25,26)18-10-6-16(21)7-11-18/h4-11,19H,12-14H2,1-3H3,(H,22,24).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide?
3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 424.95 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 42990397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).