N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide

C18H29N3O3S — CID 119660555

IUPACN-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C18H29N3O3S/c1-13(2)17(19)9-10-21(3)18(22)15-5-4-6-16(11-15)25(23,24)20-12-14-7-8-14/h4-6,11,13-14,17,20H,7-10,12,19H2,1-3H3
InChIKeyZTDNRFQRQPSVCS-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.82
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide

N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide (PubChem CID 119660555) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
PubChem CID119660555
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C18H29N3O3S/c1-13(2)17(19)9-10-21(3)18(22)15-5-4-6-16(11-15)25(23,24)20-12-14-7-8-14/h4-6,11,13-14,17,20H,7-10,12,19H2,1-3H3
InChIKeyZTDNRFQRQPSVCS-UHFFFAOYSA-N
XLogP1.82
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 119657426
N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119657347
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
CID 81485805
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
N-cyclohexyl-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 46596766
2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193315
N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 119659590
3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 51953527
3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide
CID 126808026
N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide
CID 56536544
N-(3-amino-4-methylpentyl)-4-(cyclopropylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119659587
N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride
CID 119660112

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide (CID 119660555) is N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide is CC(C)C(N)CCN(C)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide?
The InChIKey is ZTDNRFQRQPSVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-13(2)17(19)9-10-21(3)18(22)15-5-4-6-16(11-15)25(23,24)20-12-14-7-8-14/h4-6,11,13-14,17,20H,7-10,12,19H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide?
N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide has a molecular weight of 367.52 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 119660555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).