N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide

C12H17NO2S — CID 107034954

IUPACN-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide
SMILESCOC(C)(C)CNC(=O)c1ccccc1S
InChIInChI=1S/C12H17NO2S/c1-12(2,15-3)8-13-11(14)9-6-4-5-7-10(9)16/h4-7,16H,8H2,1-3H3,(H,13,14)
InChIKeyGMJKFZHIQQYKPO-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.13
Rot. Bonds4

About N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide

N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide (PubChem CID 107034954) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide
PubChem CID107034954
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide
SMILESCOC(C)(C)CNC(=O)c1ccccc1S
InChIInChI=1S/C12H17NO2S/c1-12(2,15-3)8-13-11(14)9-6-4-5-7-10(9)16/h4-7,16H,8H2,1-3H3,(H,13,14)
InChIKeyGMJKFZHIQQYKPO-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-2-methylpropyl)-2-[2-(methylamino)ethyl]benzamide
CID 104761286
2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide
CID 103708378
tert-butyl N-[4-[(2-sulfanylbenzoyl)amino]butyl]carbamate
CID 170912768
2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 103714343
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide
CID 108542258
2-chloro-N-(2-methoxy-2-methylpropyl)-3-nitrobenzamide
CID 104759986
3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide
CID 104765683
2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 113245894
2-chloro-N-(2-methoxy-2-methylpropyl)furan-3-carboxamide
CID 106687227
3-(4-hydroxybut-1-ynyl)-N-(2-methoxy-2-methylpropyl)-2-methylbenzamide
CID 104764882
4-[(2-methoxy-2-methylpropyl)carbamoyl]-3-methylbenzenesulfonyl chloride
CID 104761583
N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
CID 103601610

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide (CID 107034954) is N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide is COC(C)(C)CNC(=O)c1ccccc1S.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide?
The InChIKey is GMJKFZHIQQYKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(2,15-3)8-13-11(14)9-6-4-5-7-10(9)16/h4-7,16H,8H2,1-3H3,(H,13,14).
What are the key properties of N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide?
N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide has a molecular weight of 239.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide is sourced from PubChem (CID 107034954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).