3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide

C18H29N3O2S — CID 55931831

IUPAC3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide
SMILESCC1CCC(C(C)C)C(NC(=O)CC(NC(N)=O)c2cccs2)C1
InChIInChI=1S/C18H29N3O2S/c1-11(2)13-7-6-12(3)9-14(13)20-17(22)10-15(21-18(19)23)16-5-4-8-24-16/h4-5,8,11-15H,6-7,9-10H2,1-3H3,(H,20,22)(H3,19,21,23)
InChIKeyAWYYTCARRDBQGV-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.42
Rot. Bonds6

About 3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide (PubChem CID 55931831) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide
PubChem CID55931831
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide
SMILESCC1CCC(C(C)C)C(NC(=O)CC(NC(N)=O)c2cccs2)C1
InChIInChI=1S/C18H29N3O2S/c1-11(2)13-7-6-12(3)9-14(13)20-17(22)10-15(21-18(19)23)16-5-4-8-24-16/h4-5,8,11-15H,6-7,9-10H2,1-3H3,(H,20,22)(H3,19,21,23)
InChIKeyAWYYTCARRDBQGV-UHFFFAOYSA-N
XLogP3.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide
CID 26026931
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-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119750943
(3S)-3-(carbamoylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-thiophen-2-ylpropanamide
CID 26130837
3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 60551889
(3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide
CID 95156252
[3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea
CID 42931435
3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide
CID 51311861
3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide
CID 134024602
[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea
CID 134011246
(3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 26081925

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide (CID 55931831) is 3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide is CC1CCC(C(C)C)C(NC(=O)CC(NC(N)=O)c2cccs2)C1.
What is the InChIKey of 3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide?
The InChIKey is AWYYTCARRDBQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-11(2)13-7-6-12(3)9-14(13)20-17(22)10-15(21-18(19)23)16-5-4-8-24-16/h4-5,8,11-15H,6-7,9-10H2,1-3H3,(H,20,22)(H3,19,21,23).
What are the key properties of 3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide has a molecular weight of 351.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 55931831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).