N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide

C19H31N3O3S — CID 119570340

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C19H31N3O3S/c1-4-19(5-2,13-20)21-18(23)15-11-10-14(3)17(12-15)26(24,25)22-16-8-6-7-9-16/h10-12,16,22H,4-9,13,20H2,1-3H3,(H,21,23)
InChIKeyIOQQKINNXIMWFB-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.46
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide

N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide (PubChem CID 119570340) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
PubChem CID119570340
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C19H31N3O3S/c1-4-19(5-2,13-20)21-18(23)15-11-10-14(3)17(12-15)26(24,25)22-16-8-6-7-9-16/h10-12,16,22H,4-9,13,20H2,1-3H3,(H,21,23)
InChIKeyIOQQKINNXIMWFB-UHFFFAOYSA-N
XLogP2.46
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 119570566
3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide
CID 119507022
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide;hydrochloride
CID 119610853
N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119571500
2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid
CID 119350138
N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119571735
N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide
CID 119583234
3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride
CID 120651468
N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 119571738
N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39446109
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119632759
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119467939

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide (CID 119570340) is N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide is CCC(CC)(CN)NC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide?
The InChIKey is IOQQKINNXIMWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-4-19(5-2,13-20)21-18(23)15-11-10-14(3)17(12-15)26(24,25)22-16-8-6-7-9-16/h10-12,16,22H,4-9,13,20H2,1-3H3,(H,21,23).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide?
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide has a molecular weight of 381.54 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide is sourced from PubChem (CID 119570340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).