(3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide

C18H23N3O2S — CID 26082625

IUPAC(3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)C[C@@H](NC(N)=O)c2cccs2)c1
InChIInChI=1S/C18H23N3O2S/c1-11-6-7-12(2)14(9-11)13(3)20-17(22)10-15(21-18(19)23)16-5-4-8-24-16/h4-9,13,15H,10H2,1-3H3,(H,20,22)(H3,19,21,23)/t13-,15-/m1/s1
InChIKeyOCLUJHIURJNTMT-UKRRQHHQSA-N
MW345.47 g/mol
LogP3.34
Rot. Bonds6

About (3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide

(3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 26082625) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID26082625
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)C[C@@H](NC(N)=O)c2cccs2)c1
InChIInChI=1S/C18H23N3O2S/c1-11-6-7-12(2)14(9-11)13(3)20-17(22)10-15(21-18(19)23)16-5-4-8-24-16/h4-9,13,15H,10H2,1-3H3,(H,20,22)(H3,19,21,23)/t13-,15-/m1/s1
InChIKeyOCLUJHIURJNTMT-UKRRQHHQSA-N
XLogP3.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-(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
N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 6468570
3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 134003536
3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide
CID 134024602
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
N-[1-[1-(2,5-dimethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46564443
N-[2-(tert-butylamino)-2-oxoethyl]-3-(carbamoylamino)-N-methyl-3-thiophen-2-ylpropanamide
CID 86915677

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide (CID 26082625) is (3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide is Cc1ccc(C)c([C@@H](C)NC(=O)C[C@@H](NC(N)=O)c2cccs2)c1.
What is the InChIKey of (3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is OCLUJHIURJNTMT-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-11-6-7-12(2)14(9-11)13(3)20-17(22)10-15(21-18(19)23)16-5-4-8-24-16/h4-9,13,15H,10H2,1-3H3,(H,20,22)(H3,19,21,23)/t13-,15-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide?
(3R)-3-(carbamoylamino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 345.47 g/mol, XLogP of 3.34, 6 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)-1-(2,5-dimethylphenyl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 26082625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).