N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide

C18H21N3O3S — CID 70774144

IUPACN-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide
SMILESCc1cnccc1CN(C)S(=O)(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H21N3O3S/c1-13-11-19-10-9-15(13)12-21(2)25(23,24)17-7-3-14(4-8-17)18(22)20-16-5-6-16/h3-4,7-11,16H,5-6,12H2,1-2H3,(H,20,22)
InChIKeyCNIOOBVYMZETLG-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.10
Rot. Bonds6

About N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide

N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide (PubChem CID 70774144) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide
PubChem CID70774144
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide
SMILESCc1cnccc1CN(C)S(=O)(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H21N3O3S/c1-13-11-19-10-9-15(13)12-21(2)25(23,24)17-7-3-14(4-8-17)18(22)20-16-5-6-16/h3-4,7-11,16H,5-6,12H2,1-2H3,(H,20,22)
InChIKeyCNIOOBVYMZETLG-UHFFFAOYSA-N
XLogP2.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278728
N-cyclopropyl-4-[1,4-dioxan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 70742998
N-cyclopropyl-4-[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]benzamide
CID 97130216
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278727
N-cyclooctyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 17490358
N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47797104
N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 989117
N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 9247210
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide
CID 38394548
1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine
CID 114700716

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide (CID 70774144) is N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide is Cc1cnccc1CN(C)S(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide?
The InChIKey is CNIOOBVYMZETLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-11-19-10-9-15(13)12-21(2)25(23,24)17-7-3-14(4-8-17)18(22)20-16-5-6-16/h3-4,7-11,16H,5-6,12H2,1-2H3,(H,20,22).
What are the key properties of N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide?
N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide has a molecular weight of 359.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[methyl-[(3-methyl-4-pyridinyl)methyl]sulfamoyl]benzamide is sourced from PubChem (CID 70774144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).