4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide

C17H21N3O2S — CID 9374254

IUPAC4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)NCc2cccs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12(2)20-17(22)19-10-13-5-7-14(8-6-13)16(21)18-11-15-4-3-9-23-15/h3-9,12H,10-11H2,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyULJDASBJSCWGPZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.89
Rot. Bonds6

About 4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide

4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 9374254) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID9374254
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)NCc2cccs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12(2)20-17(22)19-10-13-5-7-14(8-6-13)16(21)18-11-15-4-3-9-23-15/h3-9,12H,10-11H2,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyULJDASBJSCWGPZ-UHFFFAOYSA-N
XLogP2.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(propan-2-ylcarbamoylamino)methyl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 9472075
N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 7735138
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 33101638
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8914754
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9185148
(2S,3R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 104965843
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498

Frequently Asked Questions

What is the IUPAC name of 4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide (CID 9374254) is 4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide is CC(C)NC(=O)NCc1ccc(C(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ULJDASBJSCWGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12(2)20-17(22)19-10-13-5-7-14(8-6-13)16(21)18-11-15-4-3-9-23-15/h3-9,12H,10-11H2,1-2H3,(H,18,21)(H2,19,20,22).
What are the key properties of 4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide?
4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 331.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 9374254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).