2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide

C20H29ClN2O3S — CID 59471582

IUPAC2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide
SMILESCCCS(=O)(=O)NC1CC(CNC(=O)c2ccc(C)cc2Cl)(CC2CC2)C1
InChIInChI=1S/C20H29ClN2O3S/c1-3-8-27(25,26)23-16-11-20(12-16,10-15-5-6-15)13-22-19(24)17-7-4-14(2)9-18(17)21/h4,7,9,15-16,23H,3,5-6,8,10-13H2,1-2H3,(H,22,24)
InChIKeyMXUGZQCUIKXWHK-UHFFFAOYSA-N
MW412.98 g/mol
LogP3.66
Rot. Bonds9

About 2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide

2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide (PubChem CID 59471582) has the molecular formula C20H29ClN2O3S and a molecular weight of 412.98 g/mol. Its IUPAC name is 2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide
PubChem CID59471582
Molecular FormulaC20H29ClN2O3S
Molecular Weight412.98 g/mol
Exact Mass412.16
IUPAC Name2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide
SMILESCCCS(=O)(=O)NC1CC(CNC(=O)c2ccc(C)cc2Cl)(CC2CC2)C1
InChIInChI=1S/C20H29ClN2O3S/c1-3-8-27(25,26)23-16-11-20(12-16,10-15-5-6-15)13-22-19(24)17-7-4-14(2)9-18(17)21/h4,7,9,15-16,23H,3,5-6,8,10-13H2,1-2H3,(H,22,24)
InChIKeyMXUGZQCUIKXWHK-UHFFFAOYSA-N
XLogP3.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.98
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide
CID 15951943
2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane
CID 143210765
2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide
CID 143467111
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243
2-chloro-4-methyl-N-[(4-piperidin-1-yl-1-propylsulfonylpiperidin-4-yl)methyl]benzamide
CID 143452817
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
2-chloro-N-(2-chloro-3-methylbutyl)-4-methylbenzamide
CID 106864028
2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 99832914
2-chloro-4-methyl-N-[[4-(3-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide;ethane
CID 143116417
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide (CID 59471582) is 2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide is CCCS(=O)(=O)NC1CC(CNC(=O)c2ccc(C)cc2Cl)(CC2CC2)C1.
What is the InChIKey of 2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide?
The InChIKey is MXUGZQCUIKXWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3S/c1-3-8-27(25,26)23-16-11-20(12-16,10-15-5-6-15)13-22-19(24)17-7-4-14(2)9-18(17)21/h4,7,9,15-16,23H,3,5-6,8,10-13H2,1-2H3,(H,22,24).
What are the key properties of 2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide?
2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide has a molecular weight of 412.98 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 59471582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).