5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide

C27H31N3O3S — CID 177269122

IUPAC5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccc(S(C)(=O)=O)c3ccccc23)CC1
InChIInChI=1S/C27H31N3O3S/c1-18-9-10-19(30-16-20(17-30)29(2)3)15-23(18)26(31)28-27(13-14-27)24-11-12-25(34(4,32)33)22-8-6-5-7-21(22)24/h5-12,15,20H,13-14,16-17H2,1-4H3,(H,28,31)
InChIKeyGUNQGNRPGAYSAF-UHFFFAOYSA-N
MW477.63 g/mol
LogP3.72
Rot. Bonds6

About 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide

5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide (PubChem CID 177269122) has the molecular formula C27H31N3O3S and a molecular weight of 477.63 g/mol. Its IUPAC name is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide
PubChem CID177269122
Molecular FormulaC27H31N3O3S
Molecular Weight477.63 g/mol
Exact Mass477.21
IUPAC Name5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccc(S(C)(=O)=O)c3ccccc23)CC1
InChIInChI=1S/C27H31N3O3S/c1-18-9-10-19(30-16-20(17-30)29(2)3)15-23(18)26(31)28-27(13-14-27)24-11-12-25(34(4,32)33)22-8-6-5-7-21(22)24/h5-12,15,20H,13-14,16-17H2,1-4H3,(H,28,31)
InChIKeyGUNQGNRPGAYSAF-UHFFFAOYSA-N
XLogP3.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide 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

5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269126
N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177268795
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269051
5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide
CID 177268956
N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177269052
N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177268899
N-[1-(1,3-benzodioxol-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177268833
4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid
CID 177269082
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide
CID 177268830
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide
CID 177268971
5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177269144
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174194684

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide?
The IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide (CID 177269122) is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide.
What is the SMILES notation for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide?
The canonical SMILES for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide is Cc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccc(S(C)(=O)=O)c3ccccc23)CC1.
What is the InChIKey of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide?
The InChIKey is GUNQGNRPGAYSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3S/c1-18-9-10-19(30-16-20(17-30)29(2)3)15-23(18)26(31)28-27(13-14-27)24-11-12-25(34(4,32)33)22-8-6-5-7-21(22)24/h5-12,15,20H,13-14,16-17H2,1-4H3,(H,28,31).
What are the key properties of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide?
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide has a molecular weight of 477.63 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide is sourced from PubChem (CID 177269122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).