4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide

C18H21ClN2O5S — CID 49021544

IUPAC4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C18H21ClN2O5S/c1-4-26-16-8-5-12(9-17(16)25-2)11-20-18(22)13-6-7-14(19)15(10-13)21-27(3,23)24/h5-10,21H,4,11H2,1-3H3,(H,20,22)
InChIKeyXWCYYVJXBSMHPC-UHFFFAOYSA-N
MW412.90 g/mol
LogP3.05
Rot. Bonds8

About 4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide

4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide (PubChem CID 49021544) has the molecular formula C18H21ClN2O5S and a molecular weight of 412.90 g/mol. Its IUPAC name is 4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
PubChem CID49021544
Molecular FormulaC18H21ClN2O5S
Molecular Weight412.90 g/mol
Exact Mass412.09
IUPAC Name4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1OC
InChIInChI=1S/C18H21ClN2O5S/c1-4-26-16-8-5-12(9-17(16)25-2)11-20-18(22)13-6-7-14(19)15(10-13)21-27(3,23)24/h5-10,21H,4,11H2,1-3H3,(H,20,22)
InChIKeyXWCYYVJXBSMHPC-UHFFFAOYSA-N
XLogP3.05
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46486188
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 87004486
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534
4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 100500514
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 48599378
4-bromo-N-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 55659925

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of 4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide (CID 49021544) is 4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for 4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for 4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide is CCOc1ccc(CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1OC.
What is the InChIKey of 4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
The InChIKey is XWCYYVJXBSMHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S/c1-4-26-16-8-5-12(9-17(16)25-2)11-20-18(22)13-6-7-14(19)15(10-13)21-27(3,23)24/h5-10,21H,4,11H2,1-3H3,(H,20,22).
What are the key properties of 4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide?
4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide has a molecular weight of 412.90 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 49021544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).