N-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

C19H30N2O4S — CID 5103368

IUPACN-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESCOCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H30N2O4S/c1-15-4-10-18(11-5-15)26(23,24)21-14-16-6-8-17(9-7-16)19(22)20-12-3-13-25-2/h4-5,10-11,16-17,21H,3,6-9,12-14H2,1-2H3,(H,20,22)
InChIKeyJJVPIHQGHKAEOC-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.23
Rot. Bonds9

About N-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

N-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide (PubChem CID 5103368) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
PubChem CID5103368
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC NameN-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
SMILESCOCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H30N2O4S/c1-15-4-10-18(11-5-15)26(23,24)21-14-16-6-8-17(9-7-16)19(22)20-12-3-13-25-2/h4-5,10-11,16-17,21H,3,6-9,12-14H2,1-2H3,(H,20,22)
InChIKeyJJVPIHQGHKAEOC-UHFFFAOYSA-N
XLogP2.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide (CID 5103368) is N-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide is COCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
The InChIKey is JJVPIHQGHKAEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-15-4-10-18(11-5-15)26(23,24)21-14-16-6-8-17(9-7-16)19(22)20-12-3-13-25-2/h4-5,10-11,16-17,21H,3,6-9,12-14H2,1-2H3,(H,20,22).
What are the key properties of N-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide?
N-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 5103368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).