N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide

C19H29N3O5S — CID 1247264

IUPACN-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1OC
InChIInChI=1S/C19H29N3O5S/c1-26-17-9-8-16(14-18(17)27-2)28(24,25)22-12-10-21(11-13-22)19(23)20-15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,20,23)
InChIKeyWBCRSOJRMFSIFO-UHFFFAOYSA-N
MW411.52 g/mol
LogP2.05
Rot. Bonds5

About N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide

N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 1247264) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID1247264
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC NameN-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1OC
InChIInChI=1S/C19H29N3O5S/c1-26-17-9-8-16(14-18(17)27-2)28(24,25)22-12-10-21(11-13-22)19(23)20-15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,20,23)
InChIKeyWBCRSOJRMFSIFO-UHFFFAOYSA-N
XLogP2.05
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~1~-cyclopropyl-N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 969683
3,4-dimethoxy-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzenesulfonamide
CID 2810730
1-Cyclohexyl-3-[1-(2,3-dihydro-benzo[1,4]dioxine-6-sulfonyl)-piperidin-4-yl]-urea
CID 654292
N-cycloheptyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088329
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316831
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonyl]-1-piperazinecarbothioamide
CID 2206614
1-Cyclohexyl-3-[8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 3220699
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-(3-ethoxypropylcarbamoyl)acetamide
CID 4841265
4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 1-hexylamide 3-hydroxyamide
CID 10836923
3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 134148037
N-cyclohexyl-3,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 645298

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide (CID 1247264) is N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1OC.
What is the InChIKey of N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is WBCRSOJRMFSIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-26-17-9-8-16(14-18(17)27-2)28(24,25)22-12-10-21(11-13-22)19(23)20-15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,20,23).
What are the key properties of N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide?
N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 1247264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).