N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide

C19H23ClN4O3S — CID 134043087

IUPACN-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide
SMILESNS(=O)(=O)N1CCN(CC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN4O3S/c20-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)22-18(25)14-23-10-12-24(13-11-23)28(21,26)27/h1-9,19H,10-14H2,(H,22,25)(H2,21,26,27)
InChIKeyNMHPPXMDBJWBOO-UHFFFAOYSA-N
MW422.94 g/mol
LogP1.37
Rot. Bonds6

About N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide

N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide (PubChem CID 134043087) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide
PubChem CID134043087
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide
SMILESNS(=O)(=O)N1CCN(CC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN4O3S/c20-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)22-18(25)14-23-10-12-24(13-11-23)28(21,26)27/h1-9,19H,10-14H2,(H,22,25)(H2,21,26,27)
InChIKeyNMHPPXMDBJWBOO-UHFFFAOYSA-N
XLogP1.37
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 86919652
N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 45281440
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
N-(3-chloro-2-methylphenyl)-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 134038865
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide
CID 92573658
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744101
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55411010
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 41229330
N-benzhydryl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2507952
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8554158
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685654

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide (CID 134043087) is N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide is NS(=O)(=O)N1CCN(CC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide?
The InChIKey is NMHPPXMDBJWBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c20-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)22-18(25)14-23-10-12-24(13-11-23)28(21,26)27/h1-9,19H,10-14H2,(H,22,25)(H2,21,26,27).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide?
N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide has a molecular weight of 422.94 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide is sourced from PubChem (CID 134043087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).