(2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide

C14H21N3O2S — CID 9416153

IUPAC(2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C14H21N3O2S/c1-9-4-5-11(8-10(9)2)16-13(18)12(6-7-20-3)17-14(15)19/h4-5,8,12H,6-7H2,1-3H3,(H,16,18)(H3,15,17,19)/t12-/m1/s1
InChIKeyKDJCDFQPBWDBRI-GFCCVEGCSA-N
MW295.41 g/mol
LogP2.03
Rot. Bonds6

About (2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide

(2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide (PubChem CID 9416153) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide
PubChem CID9416153
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C14H21N3O2S/c1-9-4-5-11(8-10(9)2)16-13(18)12(6-7-20-3)17-14(15)19/h4-5,8,12H,6-7H2,1-3H3,(H,16,18)(H3,15,17,19)/t12-/m1/s1
InChIKeyKDJCDFQPBWDBRI-GFCCVEGCSA-N
XLogP2.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.03
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-chloro-4-methoxyphenyl)-4-methylsulfanylbutanamide
CID 2098066
(2S)-2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylsulfanylbutanamide
CID 2078416
(2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9213493
(2S)-2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 2025963
(2S)-2-(carbamoylamino)-4-methylsulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 94820278
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
2-(carbamoylamino)-4-methylsulfanyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55548634
2-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-4-methylsulfanylbutanamide
CID 47097093
2-(carbamoylamino)-N-(2-chloro-4-methylphenyl)-4-methylsulfanylbutanamide
CID 51072518

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide (CID 9416153) is (2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide is CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide?
The InChIKey is KDJCDFQPBWDBRI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-4-5-11(8-10(9)2)16-13(18)12(6-7-20-3)17-14(15)19/h4-5,8,12H,6-7H2,1-3H3,(H,16,18)(H3,15,17,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide?
(2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide has a molecular weight of 295.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 9416153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).