N-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide

C20H23NO3S — CID 37400540

IUPACN-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(SC3CCCC3)cc2)c1OC
InChIInChI=1S/C20H23NO3S/c1-23-18-9-5-8-17(19(18)24-2)20(22)21-14-10-12-16(13-11-14)25-15-6-3-4-7-15/h5,8-13,15H,3-4,6-7H2,1-2H3,(H,21,22)
InChIKeyBMSZLUWTXYDMRX-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.99
Rot. Bonds6

About N-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide

N-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide (PubChem CID 37400540) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide
PubChem CID37400540
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(SC3CCCC3)cc2)c1OC
InChIInChI=1S/C20H23NO3S/c1-23-18-9-5-8-17(19(18)24-2)20(22)21-14-10-12-16(13-11-14)25-15-6-3-4-7-15/h5,8-13,15H,3-4,6-7H2,1-2H3,(H,21,22)
InChIKeyBMSZLUWTXYDMRX-UHFFFAOYSA-N
XLogP4.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
N-(2,3-dihydro-1H-inden-5-yl)-2,3-dimethoxybenzamide
CID 26198866
2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141454
2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253872
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethoxybenzamide
CID 51556740
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide
CID 100530694
N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
CID 93452159
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide (CID 37400540) is N-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc(SC3CCCC3)cc2)c1OC.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide?
The InChIKey is BMSZLUWTXYDMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-23-18-9-5-8-17(19(18)24-2)20(22)21-14-10-12-16(13-11-14)25-15-6-3-4-7-15/h5,8-13,15H,3-4,6-7H2,1-2H3,(H,21,22).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide?
N-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide has a molecular weight of 357.48 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 37400540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).