N-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide

C18H21NO3S — CID 119063822

IUPACN-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(-c2ccc(C(=O)N(C)CC(O)CO)cc2)cc1
InChIInChI=1S/C18H21NO3S/c1-19(11-16(21)12-20)18(22)15-5-3-13(4-6-15)14-7-9-17(23-2)10-8-14/h3-10,16,20-21H,11-12H2,1-2H3
InChIKeyIUMONTQSHWVERV-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.50
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide

N-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide (PubChem CID 119063822) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide
PubChem CID119063822
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(-c2ccc(C(=O)N(C)CC(O)CO)cc2)cc1
InChIInChI=1S/C18H21NO3S/c1-19(11-16(21)12-20)18(22)15-5-3-13(4-6-15)14-7-9-17(23-2)10-8-14/h3-10,16,20-21H,11-12H2,1-2H3
InChIKeyIUMONTQSHWVERV-UHFFFAOYSA-N
XLogP2.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2,3-dihydroxypropyl]-4-(3-fluoro-4-methoxyphenyl)-N-methylbenzamide
CID 126443638
4-(2-acetylthiophen-3-yl)-N-[(2R)-2,3-dihydroxypropyl]-N-methylbenzamide
CID 126446644
N-[(2S)-2,3-dihydroxypropyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide
CID 95125149
4-(2-acetylthiophen-3-yl)-N-[(2S)-2,3-dihydroxypropyl]-N-methylbenzamide
CID 126446643
3-[methyl-(4-methylsulfanylbenzoyl)amino]propanoic acid
CID 60989458
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79384071
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-[(2S)-2,3-dihydroxypropyl]-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 95121318
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78816760
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
N-(2,3-dihydroxypropyl)-3,4-didodecoxy-N-methylbenzamide
CID 102146420
4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide (CID 119063822) is N-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide is CSc1ccc(-c2ccc(C(=O)N(C)CC(O)CO)cc2)cc1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide?
The InChIKey is IUMONTQSHWVERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-19(11-16(21)12-20)18(22)15-5-3-13(4-6-15)14-7-9-17(23-2)10-8-14/h3-10,16,20-21H,11-12H2,1-2H3.
What are the key properties of N-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide?
N-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide has a molecular weight of 331.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-N-methyl-4-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 119063822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).