2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide

C16H20ClN3O2S — CID 119936388

IUPAC2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
SMILESO=C(CC1CSCCN1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C16H20ClN3O2S/c17-14-4-3-11(7-13(14)16(22)20-10-1-2-10)19-15(21)8-12-9-23-6-5-18-12/h3-4,7,10,12,18H,1-2,5-6,8-9H2,(H,19,21)(H,20,22)
InChIKeyRLNKYAUXKVSEDS-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.27
Rot. Bonds5

About 2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide

2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide (PubChem CID 119936388) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
PubChem CID119936388
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
SMILESO=C(CC1CSCCN1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C16H20ClN3O2S/c17-14-4-3-11(7-13(14)16(22)20-10-1-2-10)19-15(21)8-12-9-23-6-5-18-12/h3-4,7,10,12,18H,1-2,5-6,8-9H2,(H,19,21)(H,20,22)
InChIKeyRLNKYAUXKVSEDS-UHFFFAOYSA-N
XLogP2.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]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

N-[4-(cyclopropylcarbamoylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935987
N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide
CID 66420640
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936487
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
3-chloro-4-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66420522
N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide
CID 66422272
N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936303

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide (CID 119936388) is 2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide is O=C(CC1CSCCN1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The InChIKey is RLNKYAUXKVSEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c17-14-4-3-11(7-13(14)16(22)20-10-1-2-10)19-15(21)8-12-9-23-6-5-18-12/h3-4,7,10,12,18H,1-2,5-6,8-9H2,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide has a molecular weight of 353.88 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide is sourced from PubChem (CID 119936388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).