N-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide

C20H26N4O4S — CID 1485499

IUPACN-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1
InChIInChI=1S/C20H26N4O4S/c1-22(2)29(26,27)19-10-4-16(5-11-19)21-20(25)24-14-12-23(13-15-24)17-6-8-18(28-3)9-7-17/h4-11H,12-15H2,1-3H3,(H,21,25)
InChIKeyCHJMKMWKOIAUOC-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.30
Rot. Bonds5

About N-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide

N-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 1485499) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID1485499
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1
InChIInChI=1S/C20H26N4O4S/c1-22(2)29(26,27)19-10-4-16(5-11-19)21-20(25)24-14-12-23(13-15-24)17-6-8-18(28-3)9-7-17/h4-11H,12-15H2,1-3H3,(H,21,25)
InChIKeyCHJMKMWKOIAUOC-UHFFFAOYSA-N
XLogP2.30
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(1-(Phenylsulfonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780370
1-(1-Tosylpiperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780576
4-(3-(4-Butoxyphenyl)ureido)benzenesulfonamide
CID 50942416
1-(1-Butylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71679326
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
3-amino-N-(4-methoxyphenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3292313
3-amino-N-(4-methoxyphenyl)-4-(piperidin-1-yl)benzene-1-sulfonamide
CID 3746718
2-(carbamoylamino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylsulfanylbutanamide
CID 3930725
[4-[(4-Phenylpiperazine-1-carbonyl)amino]phenyl] sulfamate
CID 122184985
2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide
CID 4291895
5-[4-(4-Methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 7161892
N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 757324

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide (CID 1485499) is N-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is CHJMKMWKOIAUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-22(2)29(26,27)19-10-4-16(5-11-19)21-20(25)24-14-12-23(13-15-24)17-6-8-18(28-3)9-7-17/h4-11H,12-15H2,1-3H3,(H,21,25).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
N-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 1485499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).