N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

C18H28N2O3S — CID 2435085

IUPACN-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCC2)cc1C
InChIInChI=1S/C18H28N2O3S/c1-14-9-10-17(13-15(14)2)24(22,23)19-12-11-18(21)20-16-7-5-3-4-6-8-16/h9-10,13,16,19H,3-8,11-12H2,1-2H3,(H,20,21)
InChIKeyKAFCJRDLUFNIGQ-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.81
Rot. Bonds6

About N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 2435085) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID2435085
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCC2)cc1C
InChIInChI=1S/C18H28N2O3S/c1-14-9-10-17(13-15(14)2)24(22,23)19-12-11-18(21)20-16-7-5-3-4-6-8-16/h9-10,13,16,19H,3-8,11-12H2,1-2H3,(H,20,21)
InChIKeyKAFCJRDLUFNIGQ-UHFFFAOYSA-N
XLogP2.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)acetamide
CID 11414131
N-((2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl)-2-propylpentanamide
CID 23653514
2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide
CID 11537386
2-Nonylamido-5-sulfonamidoindane
CID 11660633
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
2-Butylamido-5-sulfonamidoindane
CID 11529486
2-Propylamido-5-sulfonamidoindane
CID 11536481
2-Ethylamido-5-sulfonamidoindane
CID 11543564
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 2738684
3-(benzenesulfonamido)-N-(4-methylcyclohexyl)propanamide
CID 24687507

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (CID 2435085) is N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCC2)cc1C.
What is the InChIKey of N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is KAFCJRDLUFNIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14-9-10-17(13-15(14)2)24(22,23)19-12-11-18(21)20-16-7-5-3-4-6-8-16/h9-10,13,16,19H,3-8,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 352.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 2435085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).