(2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide

C17H27N3O2S — CID 94798216

IUPAC(2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](NC(N)=O)C(=O)NCC(C)(C)c1cccc(C)c1
InChIInChI=1S/C17H27N3O2S/c1-12-6-5-7-13(10-12)17(2,3)11-19-15(21)14(8-9-23-4)20-16(18)22/h5-7,10,14H,8-9,11H2,1-4H3,(H,19,21)(H3,18,20,22)/t14-/m1/s1
InChIKeyRPSAUSVTBIFXJV-CQSZACIVSA-N
MW337.49 g/mol
LogP2.18
Rot. Bonds8

About (2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide

(2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide (PubChem CID 94798216) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide
PubChem CID94798216
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](NC(N)=O)C(=O)NCC(C)(C)c1cccc(C)c1
InChIInChI=1S/C17H27N3O2S/c1-12-6-5-7-13(10-12)17(2,3)11-19-15(21)14(8-9-23-4)20-16(18)22/h5-7,10,14H,8-9,11H2,1-4H3,(H,19,21)(H3,18,20,22)/t14-/m1/s1
InChIKeyRPSAUSVTBIFXJV-CQSZACIVSA-N
XLogP2.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-amino-2-methylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119626606
(2S)-2-(carbamoylamino)-4-methylsulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 94820278
2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-2-phenylacetamide
CID 119308143
(2R)-2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-4-methylsulfanylbutanamide
CID 2400618
2-ethyl-2-[[[(2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoyl]amino]methyl]butanoic acid
CID 124738135
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
(2S)-2-(carbamoylamino)-N-(4-methylphenyl)-4-methylsulfanylbutanamide
CID 2455996
(2S)-2-amino-N-[2-methyl-2-(4-methylphenyl)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119318670
2-(carbamoylamino)-N-(2-chloro-4-methylphenyl)-4-methylsulfanylbutanamide
CID 51072518
2-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-4-methylsulfanylbutanamide
CID 47097093
3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(propylamino)butan-2-yl]benzamide
CID 29292286
N-[1-(3-aminobutylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119495659

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide (CID 94798216) is (2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide is CSCC[C@@H](NC(N)=O)C(=O)NCC(C)(C)c1cccc(C)c1.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide?
The InChIKey is RPSAUSVTBIFXJV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-12-6-5-7-13(10-12)17(2,3)11-19-15(21)14(8-9-23-4)20-16(18)22/h5-7,10,14H,8-9,11H2,1-4H3,(H,19,21)(H3,18,20,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide?
(2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide has a molecular weight of 337.49 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 94798216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).