N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide

C18H17NO2S2 — CID 91630830

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(O)c1csc2ccccc12
InChIInChI=1S/C18H17NO2S2/c1-22-16-8-4-3-7-13(16)18(21)19-10-15(20)14-11-23-17-9-5-2-6-12(14)17/h2-9,11,15,20H,10H2,1H3,(H,19,21)
InChIKeyAOMHKQASTMRDCC-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.09
Rot. Bonds5

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide (PubChem CID 91630830) has the molecular formula C18H17NO2S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide
PubChem CID91630830
Molecular FormulaC18H17NO2S2
Molecular Weight343.47 g/mol
Exact Mass343.07
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(O)c1csc2ccccc12
InChIInChI=1S/C18H17NO2S2/c1-22-16-8-4-3-7-13(16)18(21)19-10-15(20)14-11-23-17-9-5-2-6-12(14)17/h2-9,11,15,20H,10H2,1H3,(H,19,21)
InChIKeyAOMHKQASTMRDCC-UHFFFAOYSA-N
XLogP4.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
CID 46883911
CID 46883911
4-[5-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]thiophen-2-yl]-1-benzothiophene-2-carboxamide
CID 168271525
(R)-N-(1-(3-fluorophenyl)-3-hydroxypropan-2-yl)benzo[b]thiophene-2-carboxamide phosphonate
CID 46883910
2-[2-[(2-Methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 17517953
N-benzhydryl-5-[3-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 46900085
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-4-methylthiophene-2-carboxamide
CID 56765427
3-[4-(aminomethyl)cyclohexyl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 66509289
2-fluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683851
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 71781687
2-fluoro-N-({5-[hydroxy(phenyl)methyl]thiophen-2-yl}methyl)benzamide
CID 73167895
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-3-(2-fluorophenyl)propanamide
CID 86263988

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide (CID 91630830) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCC(O)c1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide?
The InChIKey is AOMHKQASTMRDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S2/c1-22-16-8-4-3-7-13(16)18(21)19-10-15(20)14-11-23-17-9-5-2-6-12(14)17/h2-9,11,15,20H,10H2,1H3,(H,19,21).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide has a molecular weight of 343.47 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 91630830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).