3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide

C19H30N2O3S — CID 108573891

IUPAC3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CCC2CCCCC2)cc1C
InChIInChI=1S/C19H30N2O3S/c1-15-8-10-18(14-16(15)2)25(23,24)21-13-12-20-19(22)11-9-17-6-4-3-5-7-17/h8,10,14,17,21H,3-7,9,11-13H2,1-2H3,(H,20,22)
InChIKeyZQXFGBFATISHNT-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.06
Rot. Bonds8

About 3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide

3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide (PubChem CID 108573891) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
PubChem CID108573891
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CCC2CCCCC2)cc1C
InChIInChI=1S/C19H30N2O3S/c1-15-8-10-18(14-16(15)2)25(23,24)21-13-12-20-19(22)11-9-17-6-4-3-5-7-17/h8,10,14,17,21H,3-7,9,11-13H2,1-2H3,(H,20,22)
InChIKeyZQXFGBFATISHNT-UHFFFAOYSA-N
XLogP3.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573893
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 46433666
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
methyl 5-(cyclohexylmethylsulfamoyl)-2-methylbenzoate
CID 100566433
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 30482085
N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide
CID 108573890
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 51159054
3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide
CID 55585732

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide (CID 108573891) is 3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide is Cc1ccc(S(=O)(=O)NCCNC(=O)CCC2CCCCC2)cc1C.
What is the InChIKey of 3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide?
The InChIKey is ZQXFGBFATISHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-15-8-10-18(14-16(15)2)25(23,24)21-13-12-20-19(22)11-9-17-6-4-3-5-7-17/h8,10,14,17,21H,3-7,9,11-13H2,1-2H3,(H,20,22).
What are the key properties of 3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide?
3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide has a molecular weight of 366.53 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide is sourced from PubChem (CID 108573891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).