(2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide

C14H21N3O2S — CID 9213493

IUPAC(2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
SMILESCCc1ccc(NC(=O)[C@@H](CCSC)NC(N)=O)cc1
InChIInChI=1S/C14H21N3O2S/c1-3-10-4-6-11(7-5-10)16-13(18)12(8-9-20-2)17-14(15)19/h4-7,12H,3,8-9H2,1-2H3,(H,16,18)(H3,15,17,19)/t12-/m1/s1
InChIKeyLITRJASCZLFBNS-GFCCVEGCSA-N
MW295.41 g/mol
LogP1.98
Rot. Bonds7

About (2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide

(2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide (PubChem CID 9213493) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
PubChem CID9213493
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
SMILESCCc1ccc(NC(=O)[C@@H](CCSC)NC(N)=O)cc1
InChIInChI=1S/C14H21N3O2S/c1-3-10-4-6-11(7-5-10)16-13(18)12(8-9-20-2)17-14(15)19/h4-7,12H,3,8-9H2,1-2H3,(H,16,18)(H3,15,17,19)/t12-/m1/s1
InChIKeyLITRJASCZLFBNS-GFCCVEGCSA-N
XLogP1.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(carbamoylamino)-N-(4-methylphenyl)-4-methylsulfanylbutanamide
CID 2455996
(2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide
CID 9416153
(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9212809
2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide
CID 4781913
(2S)-2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylsulfanylbutanamide
CID 2078416
methyl 3-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]benzoate
CID 5024447
(2S)-2-(carbamoylamino)-N-(3,5-dimethoxyphenyl)-4-methylsulfanylbutanamide
CID 9453760
(2R)-2-(carbamoylamino)-N-(3,5-dimethoxyphenyl)-4-methylsulfanylbutanamide
CID 9453759
(2R)-2-(carbamoylamino)-N-(3-chloro-4-methoxyphenyl)-4-methylsulfanylbutanamide
CID 2098066
(2R)-2-(carbamoylamino)-4-methylsulfanyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]butanamide
CID 9468369
(2S)-2-(carbamoylamino)-4-methylsulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 94820278
(2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide
CID 95300199

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide (CID 9213493) is (2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide is CCc1ccc(NC(=O)[C@@H](CCSC)NC(N)=O)cc1.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide?
The InChIKey is LITRJASCZLFBNS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-10-4-6-11(7-5-10)16-13(18)12(8-9-20-2)17-14(15)19/h4-7,12H,3,8-9H2,1-2H3,(H,16,18)(H3,15,17,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide?
(2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide has a molecular weight of 295.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 9213493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).