3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide

C15H24N2O3S — CID 134062114

IUPAC3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-5-9-17(10-6-2)15(18)13-8-7-12(3)14(11-13)16-21(4,19)20/h7-8,11,16H,5-6,9-10H2,1-4H3
InChIKeyZIOXOWKIVFTHJI-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.63
Rot. Bonds7

About 3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide

3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide (PubChem CID 134062114) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide
PubChem CID134062114
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-5-9-17(10-6-2)15(18)13-8-7-12(3)14(11-13)16-21(4,19)20/h7-8,11,16H,5-6,9-10H2,1-4H3
InChIKeyZIOXOWKIVFTHJI-UHFFFAOYSA-N
XLogP2.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189349
N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 60591541
3-benzamido-4-methyl-N,N-dipropylbenzamide
CID 17226384
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)-4-methylbenzamide
CID 38702132
2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid
CID 119955065
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
N-[5-[[[4-(diethylamino)benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 39982550
4-methyl-3-[[methyl(propyl)amino]methyl]-N,N-dipropylbenzamide
CID 143307658
N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 31991118
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
CID 55571429
3-methyl-4-nitro-N,N-dipropylbenzamide
CID 786985

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide?
The IUPAC name of 3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide (CID 134062114) is 3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide.
What is the SMILES notation for 3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide?
The canonical SMILES for 3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of 3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide?
The InChIKey is ZIOXOWKIVFTHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-9-17(10-6-2)15(18)13-8-7-12(3)14(11-13)16-21(4,19)20/h7-8,11,16H,5-6,9-10H2,1-4H3.
What are the key properties of 3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide?
3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide is sourced from PubChem (CID 134062114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).