3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide

C24H27ClN4O3S — CID 166381928

IUPAC3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCCN(CCO)Cc1cccc(Cl)c1)Nc1cccc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C24H27ClN4O3S/c25-20-6-1-4-18(14-20)17-29(11-12-30)10-9-26-24(32)28-21-7-2-5-19(15-21)23(31)27-16-22-8-3-13-33-22/h1-8,13-15,30H,9-12,16-17H2,(H,27,31)(H2,26,28,32)
InChIKeyISLKLGKPQASMQH-UHFFFAOYSA-N
MW487.03 g/mol
LogP3.95
Rot. Bonds11

About 3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide

3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 166381928) has the molecular formula C24H27ClN4O3S and a molecular weight of 487.03 g/mol. Its IUPAC name is 3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID166381928
Molecular FormulaC24H27ClN4O3S
Molecular Weight487.03 g/mol
Exact Mass486.15
IUPAC Name3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCCN(CCO)Cc1cccc(Cl)c1)Nc1cccc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C24H27ClN4O3S/c25-20-6-1-4-18(14-20)17-29(11-12-30)10-9-26-24(32)28-21-7-2-5-19(15-21)23(31)27-16-22-8-3-13-33-22/h1-8,13-15,30H,9-12,16-17H2,(H,27,31)(H2,26,28,32)
InChIKeyISLKLGKPQASMQH-UHFFFAOYSA-N
XLogP3.95
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.03
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)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

3-[2-[(3-bromophenyl)methyl-ethylamino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381923
3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 167922292
3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 119049014
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
3-[(1-benzyl-4-methylpyrrolidin-3-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381978
3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381990
3-[[1-benzyl-4-(hydroxymethyl)piperidin-3-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166382027
1-(3-chlorophenyl)-3-(2-thiophen-2-ylethyl)thiourea
CID 5019399
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 46678082
1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 51135176

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide (CID 166381928) is 3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide is O=C(NCCN(CCO)Cc1cccc(Cl)c1)Nc1cccc(C(=O)NCc2cccs2)c1.
What is the InChIKey of 3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ISLKLGKPQASMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3S/c25-20-6-1-4-18(14-20)17-29(11-12-30)10-9-26-24(32)28-21-7-2-5-19(15-21)23(31)27-16-22-8-3-13-33-22/h1-8,13-15,30H,9-12,16-17H2,(H,27,31)(H2,26,28,32).
What are the key properties of 3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 487.03 g/mol, XLogP of 3.95, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 166381928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).