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

C18H31N3O3S — CID 119571500

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(CC)(CC)CN)ccc1C
InChIInChI=1S/C18H31N3O3S/c1-6-18(7-2,13-19)20-17(22)15-11-10-14(5)16(12-15)25(23,24)21(8-3)9-4/h10-12H,6-9,13,19H2,1-5H3,(H,20,22)
InChIKeyVGOKLOVULVKAFM-UHFFFAOYSA-N
MW369.53 g/mol
LogP2.27
Rot. Bonds9

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

N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide (PubChem CID 119571500) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide
PubChem CID119571500
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(CC)(CC)CN)ccc1C
InChIInChI=1S/C18H31N3O3S/c1-6-18(7-2,13-19)20-17(22)15-11-10-14(5)16(12-15)25(23,24)21(8-3)9-4/h10-12H,6-9,13,19H2,1-5H3,(H,20,22)
InChIKeyVGOKLOVULVKAFM-UHFFFAOYSA-N
XLogP2.27
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate
CID 55609572
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 119570340
N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119571735
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 119571738
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119668137
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide (CID 119571500) is N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NC(CC)(CC)CN)ccc1C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide?
The InChIKey is VGOKLOVULVKAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-6-18(7-2,13-19)20-17(22)15-11-10-14(5)16(12-15)25(23,24)21(8-3)9-4/h10-12H,6-9,13,19H2,1-5H3,(H,20,22).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide?
N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide has a molecular weight of 369.53 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-(diethylsulfamoyl)-4-methylbenzamide is sourced from PubChem (CID 119571500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).