3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide

C18H23N3O2S — CID 134024602

IUPAC3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide
SMILESCC(C)C(NC(=O)CC(NC(N)=O)c1cccs1)c1ccccc1
InChIInChI=1S/C18H23N3O2S/c1-12(2)17(13-7-4-3-5-8-13)21-16(22)11-14(20-18(19)23)15-9-6-10-24-15/h3-10,12,14,17H,11H2,1-2H3,(H,21,22)(H3,19,20,23)
InChIKeyMCVCMAMLPFWUTE-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.36
Rot. Bonds7

About 3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide (PubChem CID 134024602) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide
PubChem CID134024602
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide
SMILESCC(C)C(NC(=O)CC(NC(N)=O)c1cccs1)c1ccccc1
InChIInChI=1S/C18H23N3O2S/c1-12(2)17(13-7-4-3-5-8-13)21-16(22)11-14(20-18(19)23)15-9-6-10-24-15/h3-10,12,14,17H,11H2,1-2H3,(H,21,22)(H3,19,20,23)
InChIKeyMCVCMAMLPFWUTE-UHFFFAOYSA-N
XLogP3.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-(3-methylbutan-2-yl)-3-thiophen-2-ylpropanamide
CID 47137941
(3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide
CID 94193166
3-(carbamoylamino)-N-[1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 42931334
(3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 26081925
3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide
CID 51311861
[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea
CID 134011246
N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 75866480
(2S)-2-[[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]amino]hexanoic acid
CID 120615623
(3S)-3-(carbamoylamino)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 41306258
3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 60551889
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide;hydrochloride
CID 119526404
(3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 26082625

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide (CID 134024602) is 3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide is CC(C)C(NC(=O)CC(NC(N)=O)c1cccs1)c1ccccc1.
What is the InChIKey of 3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide?
The InChIKey is MCVCMAMLPFWUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)17(13-7-4-3-5-8-13)21-16(22)11-14(20-18(19)23)15-9-6-10-24-15/h3-10,12,14,17H,11H2,1-2H3,(H,21,22)(H3,19,20,23).
What are the key properties of 3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide has a molecular weight of 345.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 134024602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).