N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C29H35N3O2S — CID 1060062

IUPACN-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCc1ccc(NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2cccs2)C2CCCCC2)cc1
InChIInChI=1S/C29H35N3O2S/c1-2-23-15-17-25(18-16-23)30-29(34)32(26-12-7-4-8-13-26)22-28(33)31(21-27-14-9-19-35-27)20-24-10-5-3-6-11-24/h3,5-6,9-11,14-19,26H,2,4,7-8,12-13,20-22H2,1H3,(H,30,34)
InChIKeyLYZSYEDZSHUPQR-UHFFFAOYSA-N
MW489.69 g/mol
LogP6.71
Rot. Bonds9

About N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide

N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1060062) has the molecular formula C29H35N3O2S and a molecular weight of 489.69 g/mol. Its IUPAC name is N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1060062
Molecular FormulaC29H35N3O2S
Molecular Weight489.69 g/mol
Exact Mass489.24
IUPAC NameN-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCc1ccc(NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2cccs2)C2CCCCC2)cc1
InChIInChI=1S/C29H35N3O2S/c1-2-23-15-17-25(18-16-23)30-29(34)32(26-12-7-4-8-13-26)22-28(33)31(21-27-14-9-19-35-27)20-24-10-5-3-6-11-24/h3,5-6,9-11,14-19,26H,2,4,7-8,12-13,20-22H2,1H3,(H,30,34)
InChIKeyLYZSYEDZSHUPQR-UHFFFAOYSA-N
XLogP6.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.69
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[cyclohexyl-[(4-methylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3602841
N-benzyl-2-[cyclohexyl-[(3-fluorophenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060058
N-benzyl-2-[cyclohexyl-[(3,5-dimethoxyphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3339439
N-benzyl-2-[cyclohexyl-[(2-methylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4612103
N-benzyl-2-[cyclohexyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060060
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 1059680
N-benzyl-2-[cyclohexyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4003923
2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 3995283
N-benzyl-2-[cyclopropyl-[(2,6-dichlorophenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060053
N-benzyl-2-[cyclohexyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 5041495
N-benzyl-2-[cyclohexyl-[(3-ethylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 5197507
ethyl 4-[[[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-cyclohexylcarbamoyl]amino]benzoate
CID 3427225

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 1060062) is N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide is CCc1ccc(NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2cccs2)C2CCCCC2)cc1.
What is the InChIKey of N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is LYZSYEDZSHUPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2S/c1-2-23-15-17-25(18-16-23)30-29(34)32(26-12-7-4-8-13-26)22-28(33)31(21-27-14-9-19-35-27)20-24-10-5-3-6-11-24/h3,5-6,9-11,14-19,26H,2,4,7-8,12-13,20-22H2,1H3,(H,30,34).
What are the key properties of N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 489.69 g/mol, XLogP of 6.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1060062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).