5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide

C19H22N4OS2 — CID 42538257

IUPAC5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H](C)c2nnc(SCc3ccccc3C)n2C)s1
InChIInChI=1S/C19H22N4OS2/c1-12-7-5-6-8-15(12)11-25-19-22-21-17(23(19)4)14(3)20-18(24)16-10-9-13(2)26-16/h5-10,14H,11H2,1-4H3,(H,20,24)/t14-/m1/s1
InChIKeyYVKXYUIWKXJRBC-CQSZACIVSA-N
MW386.55 g/mol
LogP4.28
Rot. Bonds6

About 5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide

5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide (PubChem CID 42538257) has the molecular formula C19H22N4OS2 and a molecular weight of 386.55 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide
PubChem CID42538257
Molecular FormulaC19H22N4OS2
Molecular Weight386.55 g/mol
Exact Mass386.12
IUPAC Name5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H](C)c2nnc(SCc3ccccc3C)n2C)s1
InChIInChI=1S/C19H22N4OS2/c1-12-7-5-6-8-15(12)11-25-19-22-21-17(23(19)4)14(3)20-18(24)16-10-9-13(2)26-16/h5-10,14H,11H2,1-4H3,(H,20,24)/t14-/m1/s1
InChIKeyYVKXYUIWKXJRBC-CQSZACIVSA-N
XLogP4.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 42468779
N-[1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 45233110
N-[(1R)-1-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 126135949
2-chloro-N-[1-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide
CID 5237966
N-[1-[4-(5-chloro-2-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide
CID 4543888
N-[(1S)-1-[5-(2-chloroprop-2-enylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenylethyl]-5-methylthiophene-2-carboxamide
CID 26360215
N-[(1S)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide
CID 2212899
N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 4035440
2-[[5-[(1R)-1-benzamidoethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 95795012
2-chloro-N-[(1S)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 2212623
N-[(1S)-1-[5-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 126349793
N-[(1S)-1-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 7394647

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide (CID 42538257) is 5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)N[C@H](C)c2nnc(SCc3ccccc3C)n2C)s1.
What is the InChIKey of 5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is YVKXYUIWKXJRBC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N4OS2/c1-12-7-5-6-8-15(12)11-25-19-22-21-17(23(19)4)14(3)20-18(24)16-10-9-13(2)26-16/h5-10,14H,11H2,1-4H3,(H,20,24)/t14-/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide?
5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 386.55 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-[4-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42538257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).