N-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide

C13H17N5O4S — CID 72926629

IUPACN-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)cc1C#N
InChIInChI=1S/C13H17N5O4S/c1-22-12-3-2-11(8-10(12)9-14)16-13(19)17-4-6-18(7-5-17)23(15,20)21/h2-3,8H,4-7H2,1H3,(H,16,19)(H2,15,20,21)
InChIKeyYBPILCYFLUKMPC-UHFFFAOYSA-N
MW339.38 g/mol
LogP-0.08
Rot. Bonds3

About N-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide

N-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide (PubChem CID 72926629) has the molecular formula C13H17N5O4S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
PubChem CID72926629
Molecular FormulaC13H17N5O4S
Molecular Weight339.38 g/mol
Exact Mass339.10
IUPAC NameN-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)cc1C#N
InChIInChI=1S/C13H17N5O4S/c1-22-12-3-2-11(8-10(12)9-14)16-13(19)17-4-6-18(7-5-17)23(15,20)21/h2-3,8H,4-7H2,1H3,(H,16,19)(H2,15,20,21)
InChIKeyYBPILCYFLUKMPC-UHFFFAOYSA-N
XLogP-0.08
TPSA128.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
N-(3-cyano-4-methoxyphenyl)-2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 72940231
(6R)-N-(3-cyano-4-methoxyphenyl)-6-(hydroxymethyl)-1,4-oxazepane-4-carboxamide
CID 97279682
4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
CID 23791470
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
methyl 4-[(3-carbamoyl-4-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 74247912
N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide
CID 119420188
N-(3-ethoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 136571741
4-(2-cyanophenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 3821127
4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide
CID 51116707
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide
CID 154839545

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide?
The IUPAC name of N-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide (CID 72926629) is N-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)cc1C#N.
What is the InChIKey of N-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide?
The InChIKey is YBPILCYFLUKMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4S/c1-22-12-3-2-11(8-10(12)9-14)16-13(19)17-4-6-18(7-5-17)23(15,20)21/h2-3,8H,4-7H2,1H3,(H,16,19)(H2,15,20,21).
What are the key properties of N-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide?
N-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide has a molecular weight of 339.38 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide is sourced from PubChem (CID 72926629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).