N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide

C16H24N2O3S — CID 94822193

IUPACN-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@H](C)N(C(=O)c1cccc(NS(C)(=O)=O)c1)C1CC1
InChIInChI=1S/C16H24N2O3S/c1-11(2)12(3)18(15-8-9-15)16(19)13-6-5-7-14(10-13)17-22(4,20)21/h5-7,10-12,15,17H,8-9H2,1-4H3/t12-/m0/s1
InChIKeyKLOJCFDPDRAXDX-LBPRGKRZSA-N
MW324.45 g/mol
LogP2.71
Rot. Bonds6

About N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide

N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide (PubChem CID 94822193) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide
PubChem CID94822193
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@H](C)N(C(=O)c1cccc(NS(C)(=O)=O)c1)C1CC1
InChIInChI=1S/C16H24N2O3S/c1-11(2)12(3)18(15-8-9-15)16(19)13-6-5-7-14(10-13)17-22(4,20)21/h5-7,10-12,15,17H,8-9H2,1-4H3/t12-/m0/s1
InChIKeyKLOJCFDPDRAXDX-LBPRGKRZSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 42951669
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732
2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 119203491
N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 52793258
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
CID 43016598
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
2-[cyclopropyl-(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 119202183
N-cyclopropyl-N-[(2S,3R)-3-methylpentan-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 95159368
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide
CID 134053339
N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide
CID 113094703
6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119181274

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide (CID 94822193) is N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide is CC(C)[C@H](C)N(C(=O)c1cccc(NS(C)(=O)=O)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide?
The InChIKey is KLOJCFDPDRAXDX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11(2)12(3)18(15-8-9-15)16(19)13-6-5-7-14(10-13)17-22(4,20)21/h5-7,10-12,15,17H,8-9H2,1-4H3/t12-/m0/s1.
What are the key properties of N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide?
N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide has a molecular weight of 324.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 94822193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).