N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide

C14H20N2O3S — CID 42951669

IUPACN-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O3S/c1-10(11-7-8-11)16(2)14(17)12-5-4-6-13(9-12)15-20(3,18)19/h4-6,9-11,15H,7-8H2,1-3H3
InChIKeyMKPDIHQEFXTCQO-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.93
Rot. Bonds5

About N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide

N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide (PubChem CID 42951669) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide
PubChem CID42951669
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O3S/c1-10(11-7-8-11)16(2)14(17)12-5-4-6-13(9-12)15-20(3,18)19/h4-6,9-11,15H,7-8H2,1-3H3
InChIKeyMKPDIHQEFXTCQO-UHFFFAOYSA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-(1-cyclopropylethyl)-N-methylbenzamide
CID 24658427
N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94822193
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732
N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 46587835
N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 52793258
N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 86925802
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide
CID 134053339
N-(1-cyclopropylethyl)-N-methyl-9-oxofluorene-2-carboxamide
CID 24658431
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24658420
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55470366

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide (CID 42951669) is N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide is CC(C1CC1)N(C)C(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is MKPDIHQEFXTCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(11-7-8-11)16(2)14(17)12-5-4-6-13(9-12)15-20(3,18)19/h4-6,9-11,15H,7-8H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide?
N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 296.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide is sourced from PubChem (CID 42951669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).