5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide

C20H20ClN3OS — CID 156907302

IUPAC5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide
SMILESC[C@@H](NC(=O)c1cc(NC2CNC2)ccc1Cl)c1csc2ccccc12
InChIInChI=1S/C20H20ClN3OS/c1-12(17-11-26-19-5-3-2-4-15(17)19)23-20(25)16-8-13(6-7-18(16)21)24-14-9-22-10-14/h2-8,11-12,14,22,24H,9-10H2,1H3,(H,23,25)/t12-/m1/s1
InChIKeyNGIIATSTVOAMLQ-GFCCVEGCSA-N
MW385.92 g/mol
LogP4.43
Rot. Bonds5

About 5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide

5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide (PubChem CID 156907302) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is 5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide.

Molecular Properties

Compound Name5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide
PubChem CID156907302
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC Name5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide
SMILESC[C@@H](NC(=O)c1cc(NC2CNC2)ccc1Cl)c1csc2ccccc12
InChIInChI=1S/C20H20ClN3OS/c1-12(17-11-26-19-5-3-2-4-15(17)19)23-20(25)16-8-13(6-7-18(16)21)24-14-9-22-10-14/h2-8,11-12,14,22,24H,9-10H2,1H3,(H,23,25)/t12-/m1/s1
InChIKeyNGIIATSTVOAMLQ-GFCCVEGCSA-N
XLogP4.43
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide 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

N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 166341655
5-(azetidin-3-ylamino)-N-[1-[3-(1-benzothiophen-2-yl)phenyl]ethyl]-2-methylbenzamide
CID 174237510
N-[1-(1-benzothiophen-3-yl)ethyl]prop-2-enamide
CID 139021172
(2R)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 97204222
2-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyrrolidin-3-ylbenzamide
CID 165115852
1-[1-(1-benzothiophen-3-yl)ethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 154834545
5-[3-[(1R)-1-[[5-(azetidin-3-ylamino)-2-methylbenzoyl]amino]ethyl]phenyl]thiophene-2-carboxylic acid
CID 156907319
N-[2-(1-benzothiophen-3-yl)-2-(dimethylamino)ethyl]-2-chlorobenzamide
CID 121023264
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
5-(azetidin-3-ylamino)-N-[1-[3-[5-(hydroxymethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide
CID 174237526
1-[1-(1-benzothiophen-3-yl)ethyl]-3-(2-oxoazepan-3-yl)urea
CID 56781503
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-chloro-4-methylphenyl)oxamide
CID 100726740

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide?
The IUPAC name of 5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide (CID 156907302) is 5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide.
What is the SMILES notation for 5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide?
The canonical SMILES for 5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide is C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1Cl)c1csc2ccccc12.
What is the InChIKey of 5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide?
The InChIKey is NGIIATSTVOAMLQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c1-12(17-11-26-19-5-3-2-4-15(17)19)23-20(25)16-8-13(6-7-18(16)21)24-14-9-22-10-14/h2-8,11-12,14,22,24H,9-10H2,1H3,(H,23,25)/t12-/m1/s1.
What are the key properties of 5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide?
5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide has a molecular weight of 385.92 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylamino)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-chlorobenzamide is sourced from PubChem (CID 156907302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).