(3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide

C15H23N3O2S — CID 26026931

IUPAC(3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](NC(N)=O)c1cccs1
InChIInChI=1S/C15H23N3O2S/c1-10-5-2-3-6-11(10)17-14(19)9-12(18-15(16)20)13-7-4-8-21-13/h4,7-8,10-12H,2-3,5-6,9H2,1H3,(H,17,19)(H3,16,18,20)/t10-,11-,12-/m1/s1
InChIKeyYLESTYVHADGBKL-IJLUTSLNSA-N
MW309.44 g/mol
LogP2.54
Rot. Bonds5

About (3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide

(3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide (PubChem CID 26026931) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide
PubChem CID26026931
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](NC(N)=O)c1cccs1
InChIInChI=1S/C15H23N3O2S/c1-10-5-2-3-6-11(10)17-14(19)9-12(18-15(16)20)13-7-4-8-21-13/h4,7-8,10-12H,2-3,5-6,9H2,1H3,(H,17,19)(H3,16,18,20)/t10-,11-,12-/m1/s1
InChIKeyYLESTYVHADGBKL-IJLUTSLNSA-N
XLogP2.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 55931831
[3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea
CID 42931435
3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide
CID 43005467
(3S)-3-(carbamoylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-thiophen-2-ylpropanamide
CID 26130837
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
(3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide
CID 95156252
3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide
CID 55577985
N-[(1S,2S)-2-methylcyclohexyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 11935888
3-(carbamoylamino)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 60551889
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757815
3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
CID 134057478

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide (CID 26026931) is (3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide is C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](NC(N)=O)c1cccs1.
What is the InChIKey of (3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide?
The InChIKey is YLESTYVHADGBKL-IJLUTSLNSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10-5-2-3-6-11(10)17-14(19)9-12(18-15(16)20)13-7-4-8-21-13/h4,7-8,10-12H,2-3,5-6,9H2,1H3,(H,17,19)(H3,16,18,20)/t10-,11-,12-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide?
(3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide has a molecular weight of 309.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 26026931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).