(2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide

C16H21N3OS — CID 40654380

IUPAC(2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide
SMILESCc1cc(C)cc(-n2ccnc2S[C@@H](C)C(=O)N(C)C)c1
InChIInChI=1S/C16H21N3OS/c1-11-8-12(2)10-14(9-11)19-7-6-17-16(19)21-13(3)15(20)18(4)5/h6-10,13H,1-5H3/t13-/m0/s1
InChIKeyJAQGLSJIFJNIEI-ZDUSSCGKSA-N
MW303.43 g/mol
LogP3.06
Rot. Bonds4

About (2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide

(2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide (PubChem CID 40654380) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide
PubChem CID40654380
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide
SMILESCc1cc(C)cc(-n2ccnc2S[C@@H](C)C(=O)N(C)C)c1
InChIInChI=1S/C16H21N3OS/c1-11-8-12(2)10-14(9-11)19-7-6-17-16(19)21-13(3)15(20)18(4)5/h6-10,13H,1-5H3/t13-/m0/s1
InChIKeyJAQGLSJIFJNIEI-ZDUSSCGKSA-N
XLogP3.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 55391479
(2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 41434180
N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 24558232
(2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675180
(2S)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675179
ethyl 1-[(2R)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate
CID 41434187
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327
N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-ethylacetamide
CID 30803081
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 24578161
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone
CID 33298165
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 51488308

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide (CID 40654380) is (2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide is Cc1cc(C)cc(-n2ccnc2S[C@@H](C)C(=O)N(C)C)c1.
What is the InChIKey of (2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide?
The InChIKey is JAQGLSJIFJNIEI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-8-12(2)10-14(9-11)19-7-6-17-16(19)21-13(3)15(20)18(4)5/h6-10,13H,1-5H3/t13-/m0/s1.
What are the key properties of (2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide?
(2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide has a molecular weight of 303.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide is sourced from PubChem (CID 40654380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).