(3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide

C13H21N3O2S — CID 94193166

IUPAC(3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide
SMILESCC(C)[C@H](C)NC(=O)C[C@H](NC(N)=O)c1cccs1
InChIInChI=1S/C13H21N3O2S/c1-8(2)9(3)15-12(17)7-10(16-13(14)18)11-5-4-6-19-11/h4-6,8-10H,7H2,1-3H3,(H,15,17)(H3,14,16,18)/t9-,10-/m0/s1
InChIKeyNJHBWETXLIXFBV-UWVGGRQHSA-N
MW283.40 g/mol
LogP2.01
Rot. Bonds6

About (3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide

(3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide (PubChem CID 94193166) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide
PubChem CID94193166
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide
SMILESCC(C)[C@H](C)NC(=O)C[C@H](NC(N)=O)c1cccs1
InChIInChI=1S/C13H21N3O2S/c1-8(2)9(3)15-12(17)7-10(16-13(14)18)11-5-4-6-19-11/h4-6,8-10H,7H2,1-3H3,(H,15,17)(H3,14,16,18)/t9-,10-/m0/s1
InChIKeyNJHBWETXLIXFBV-UWVGGRQHSA-N
XLogP2.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.01
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
3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide
CID 134024602
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
N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 119407113
(2S)-2-[[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]amino]hexanoic acid
CID 120615623
3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide
CID 51311861
(3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 26082625
4-[[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]amino]-2,2-dimethylbutanoic acid
CID 122126169
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]propanoate
CID 60712518
[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea
CID 134011246
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide;hydrochloride
CID 119526404

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide (CID 94193166) is (3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide is CC(C)[C@H](C)NC(=O)C[C@H](NC(N)=O)c1cccs1.
What is the InChIKey of (3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is NJHBWETXLIXFBV-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-8(2)9(3)15-12(17)7-10(16-13(14)18)11-5-4-6-19-11/h4-6,8-10H,7H2,1-3H3,(H,15,17)(H3,14,16,18)/t9-,10-/m0/s1.
What are the key properties of (3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide?
(3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 283.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 94193166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).