N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide

C19H18ClN3O3S — CID 60522679

IUPACN-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide
SMILESN#Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(Cl)c2)C2CC2)cc1
InChIInChI=1S/C19H18ClN3O3S/c20-16-3-1-2-15(10-16)12-22-19(24)13-23(17-6-7-17)27(25,26)18-8-4-14(11-21)5-9-18/h1-5,8-10,17H,6-7,12-13H2,(H,22,24)
InChIKeyIPUOHJOTADHTEE-UHFFFAOYSA-N
MW403.89 g/mol
LogP2.68
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide

N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide (PubChem CID 60522679) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide
PubChem CID60522679
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide
SMILESN#Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(Cl)c2)C2CC2)cc1
InChIInChI=1S/C19H18ClN3O3S/c20-16-3-1-2-15(10-16)12-22-19(24)13-23(17-6-7-17)27(25,26)18-8-4-14(11-21)5-9-18/h1-5,8-10,17H,6-7,12-13H2,(H,22,24)
InChIKeyIPUOHJOTADHTEE-UHFFFAOYSA-N
XLogP2.68
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 60522802
N-(3-chloro-4-fluorophenyl)-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide
CID 60522633
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 100790812
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 8018219
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide
CID 49336755
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 987644
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-chlorophenyl)acetamide
CID 126010478
N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126035646
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 1079970

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide (CID 60522679) is N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide is N#Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(Cl)c2)C2CC2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide?
The InChIKey is IPUOHJOTADHTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c20-16-3-1-2-15(10-16)12-22-19(24)13-23(17-6-7-17)27(25,26)18-8-4-14(11-21)5-9-18/h1-5,8-10,17H,6-7,12-13H2,(H,22,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide?
N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide has a molecular weight of 403.89 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[(4-cyanophenyl)sulfonyl-cyclopropylamino]acetamide is sourced from PubChem (CID 60522679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).