N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

C20H32N2O3S — CID 15995514

IUPACN-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H32N2O3S/c1-4-5-14-22(3)20(23)18-10-8-17(9-11-18)15-21-26(24,25)19-12-6-16(2)7-13-19/h6-7,12-13,17-18,21H,4-5,8-11,14-15H2,1-3H3
InChIKeySIZYYYXFSXVMMU-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.34
Rot. Bonds8

About N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide (PubChem CID 15995514) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
PubChem CID15995514
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H32N2O3S/c1-4-5-14-22(3)20(23)18-10-8-17(9-11-18)15-21-26(24,25)19-12-6-16(2)7-13-19/h6-7,12-13,17-18,21H,4-5,8-11,14-15H2,1-3H3
InChIKeySIZYYYXFSXVMMU-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[[4-[(pentanoylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide
CID 70167361
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
CID 119807200
N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide
CID 55863577
1-butyl-1,2-dimethyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111158410
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 5323340
4-methyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide
CID 11154648
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide (CID 15995514) is N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide is CCCCN(C)C(=O)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The InChIKey is SIZYYYXFSXVMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-4-5-14-22(3)20(23)18-10-8-17(9-11-18)15-21-26(24,25)19-12-6-16(2)7-13-19/h6-7,12-13,17-18,21H,4-5,8-11,14-15H2,1-3H3.
What are the key properties of N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide has a molecular weight of 380.55 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 15995514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).