N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide

C16H22N2O5S — CID 97130216

IUPACN-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide
SMILESCN(C[C@H]1COCCO1)S(=O)(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N2O5S/c1-18(10-14-11-22-8-9-23-14)24(20,21)15-6-2-12(3-7-15)16(19)17-13-4-5-13/h2-3,6-7,13-14H,4-5,8-11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyZPOJAPFVZQLKRB-AWEZNQCLSA-N
MW354.43 g/mol
LogP0.61
Rot. Bonds6

About N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide

N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide (PubChem CID 97130216) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide
PubChem CID97130216
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC NameN-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide
SMILESCN(C[C@H]1COCCO1)S(=O)(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C16H22N2O5S/c1-18(10-14-11-22-8-9-23-14)24(20,21)15-6-2-12(3-7-15)16(19)17-13-4-5-13/h2-3,6-7,13-14H,4-5,8-11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyZPOJAPFVZQLKRB-AWEZNQCLSA-N
XLogP0.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[1,4-dioxan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 70742998
4-[methyl(pyrazolidin-3-ylmethyl)sulfamoyl]-N-(oxolan-3-yl)benzamide
CID 134067071
4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 97109915
N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide
CID 7202655
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide
CID 70774144
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
4-bromo-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 87253100
N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 51673993

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide (CID 97130216) is N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide is CN(C[C@H]1COCCO1)S(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide?
The InChIKey is ZPOJAPFVZQLKRB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-18(10-14-11-22-8-9-23-14)24(20,21)15-6-2-12(3-7-15)16(19)17-13-4-5-13/h2-3,6-7,13-14H,4-5,8-11H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide?
N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide has a molecular weight of 354.43 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide is sourced from PubChem (CID 97130216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).