2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide

C16H19N3O2S — CID 46571619

IUPAC2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C16H19N3O2S/c1-12-4-6-13(7-5-12)9-18-16(21)19-11-15(20)17-10-14-3-2-8-22-14/h2-8H,9-11H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyVVAQYECPDQQLJE-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.17
Rot. Bonds6

About 2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 46571619) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID46571619
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C16H19N3O2S/c1-12-4-6-13(7-5-12)9-18-16(21)19-11-15(20)17-10-14-3-2-8-22-14/h2-8H,9-11H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyVVAQYECPDQQLJE-UHFFFAOYSA-N
XLogP2.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957
N-benzyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43242498
N-benzyl-2-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111259110
2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide
CID 51530628
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 43810411
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea
CID 47028537
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 134061161
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 60572861
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 46571619) is 2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(CNC(=O)NCC(=O)NCc2cccs2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VVAQYECPDQQLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-4-6-13(7-5-12)9-18-16(21)19-11-15(20)17-10-14-3-2-8-22-14/h2-8H,9-11H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of 2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 46571619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).