N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide

C16H27N3O3S — CID 119659045

IUPACN-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CCC(N)C(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C16H27N3O3S/c1-11(2)14(17)8-9-19(4)16(20)13-7-6-12(3)15(10-13)18-23(5,21)22/h6-7,10-11,14,18H,8-9,17H2,1-5H3
InChIKeyHKOJPYQHIAMERR-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.81
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide

N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide (PubChem CID 119659045) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
PubChem CID119659045
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CCC(N)C(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C16H27N3O3S/c1-11(2)14(17)8-9-19(4)16(20)13-7-6-12(3)15(10-13)18-23(5,21)22/h6-7,10-11,14,18H,8-9,17H2,1-5H3
InChIKeyHKOJPYQHIAMERR-UHFFFAOYSA-N
XLogP1.81
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119660770
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
CID 81485805
N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119657284
N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119660831
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
CID 55571429
3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide
CID 134062114
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 31991118
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide (CID 119659045) is N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CCC(N)C(C)C)cc1NS(C)(=O)=O.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide?
The InChIKey is HKOJPYQHIAMERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-11(2)14(17)8-9-19(4)16(20)13-7-6-12(3)15(10-13)18-23(5,21)22/h6-7,10-11,14,18H,8-9,17H2,1-5H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide?
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide has a molecular weight of 341.48 g/mol, XLogP of 1.81, 7 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-(methanesulfonamido)-N,4-dimethylbenzamide is sourced from PubChem (CID 119659045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).