2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide

C20H25ClN2O5S — CID 43916181

IUPAC2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1OCC
InChIInChI=1S/C20H25ClN2O5S/c1-5-27-18-10-7-14(11-19(18)28-6-2)13(3)22-20(24)16-9-8-15(12-17(16)21)23-29(4,25)26/h7-13,23H,5-6H2,1-4H3,(H,22,24)
InChIKeyJETIHNZWPGZMCI-UHFFFAOYSA-N
MW440.95 g/mol
LogP4.00
Rot. Bonds9

About 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide

2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide (PubChem CID 43916181) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
PubChem CID43916181
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC Name2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1OCC
InChIInChI=1S/C20H25ClN2O5S/c1-5-27-18-10-7-14(11-19(18)28-6-2)13(3)22-20(24)16-9-8-15(12-17(16)21)23-29(4,25)26/h7-13,23H,5-6H2,1-4H3,(H,22,24)
InChIKeyJETIHNZWPGZMCI-UHFFFAOYSA-N
XLogP4.00
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide
CID 100521380
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 99952414
2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(methanesulfonamido)benzamide
CID 133189067
2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
CID 43876402
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132673292
2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 30399426
2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9418929
2-(2-ethoxyphenoxy)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
CID 55711360
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 99949544
2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 43877134

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide (CID 43916181) is 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide is CCOc1ccc(C(C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1OCC.
What is the InChIKey of 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide?
The InChIKey is JETIHNZWPGZMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-5-27-18-10-7-14(11-19(18)28-6-2)13(3)22-20(24)16-9-8-15(12-17(16)21)23-29(4,25)26/h7-13,23H,5-6H2,1-4H3,(H,22,24).
What are the key properties of 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide?
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide has a molecular weight of 440.95 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 43916181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).