N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide

C17H27N3O3S — CID 119583234

IUPACN-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(C)CN)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H27N3O3S/c1-12-8-9-14(17(21)20(3)13(2)11-18)10-16(12)24(22,23)19-15-6-4-5-7-15/h8-10,13,15,19H,4-7,11,18H2,1-3H3
InChIKeyDIZFVTYEPMUFHF-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.64
Rot. Bonds6

About N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide

N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide (PubChem CID 119583234) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide
PubChem CID119583234
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(C)CN)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H27N3O3S/c1-12-8-9-14(17(21)20(3)13(2)11-18)10-16(12)24(22,23)19-15-6-4-5-7-15/h8-10,13,15,19H,4-7,11,18H2,1-3H3
InChIKeyDIZFVTYEPMUFHF-UHFFFAOYSA-N
XLogP1.64
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39446109
3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride
CID 120651468
3-(cyclopentylsulfamoyl)-N,4-dimethyl-N-piperidin-4-ylbenzamide
CID 119442848
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 119570340
3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide
CID 119507022
2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid
CID 119350138
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119632759
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119467939
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide;hydrochloride
CID 119467938
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide;hydrochloride
CID 119610853
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide (CID 119583234) is N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)C(C)CN)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide?
The InChIKey is DIZFVTYEPMUFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-12-8-9-14(17(21)20(3)13(2)11-18)10-16(12)24(22,23)19-15-6-4-5-7-15/h8-10,13,15,19H,4-7,11,18H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide?
N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide has a molecular weight of 353.49 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 119583234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).