N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide

C27H31ClN4O3S — CID 3575220

IUPACN-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C27H31ClN4O3S/c28-23-8-10-24(11-9-23)29-27(34)31(13-12-30-14-16-35-17-15-30)21-26(33)32(20-25-7-4-18-36-25)19-22-5-2-1-3-6-22/h1-11,18H,12-17,19-21H2,(H,29,34)
InChIKeyOTTUHRBNDROXMB-UHFFFAOYSA-N
MW527.09 g/mol
LogP4.80
Rot. Bonds10

About N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide

N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3575220) has the molecular formula C27H31ClN4O3S and a molecular weight of 527.09 g/mol. Its IUPAC name is N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3575220
Molecular FormulaC27H31ClN4O3S
Molecular Weight527.09 g/mol
Exact Mass526.18
IUPAC NameN-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C27H31ClN4O3S/c28-23-8-10-24(11-9-23)29-27(34)31(13-12-30-14-16-35-17-15-30)21-26(33)32(20-25-7-4-18-36-25)19-22-5-2-1-3-6-22/h1-11,18H,12-17,19-21H2,(H,29,34)
InChIKeyOTTUHRBNDROXMB-UHFFFAOYSA-N
XLogP4.80
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.09
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[(3-methoxyphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060019
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 4008750
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
N-benzyl-2-[(4-chlorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5121551
N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide
CID 42773151
2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4106421
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide
CID 3897940
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide
CID 4541913
3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 5011395
2-[dimethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 42776402
N-benzyl-2-[(3-methylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 1060127
2-[(3-fluorophenyl)carbamoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4178470

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 3575220) is N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is OTTUHRBNDROXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O3S/c28-23-8-10-24(11-9-23)29-27(34)31(13-12-30-14-16-35-17-15-30)21-26(33)32(20-25-7-4-18-36-25)19-22-5-2-1-3-6-22/h1-11,18H,12-17,19-21H2,(H,29,34).
What are the key properties of N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 527.09 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3575220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).