2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide

C23H31ClN2O5S — CID 46448530

IUPAC2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)ccc1OC(C)C
InChIInChI=1S/C23H31ClN2O5S/c1-14(2)26(6)32(28,29)18-9-10-20(24)19(13-18)23(27)25-16(5)17-8-11-21(31-15(3)4)22(12-17)30-7/h8-16H,1-7H3,(H,25,27)
InChIKeyDGSUSZPUARNORM-UHFFFAOYSA-N
MW483.03 g/mol
LogP4.66
Rot. Bonds9

About 2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide

2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 46448530) has the molecular formula C23H31ClN2O5S and a molecular weight of 483.03 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID46448530
Molecular FormulaC23H31ClN2O5S
Molecular Weight483.03 g/mol
Exact Mass482.16
IUPAC Name2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)ccc1OC(C)C
InChIInChI=1S/C23H31ClN2O5S/c1-14(2)26(6)32(28,29)18-9-10-20(24)19(13-18)23(27)25-16(5)17-8-11-21(31-15(3)4)22(12-17)30-7/h8-16H,1-7H3,(H,25,27)
InChIKeyDGSUSZPUARNORM-UHFFFAOYSA-N
XLogP4.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.03
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 55653587
2-chloro-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55747175
2-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 30395314
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28547003
2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55345679
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55706414
2-chloro-N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55653743
methyl 3-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]-3-(4-fluorophenyl)propanoate
CID 55994276
5-bromo-2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 55748470
2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 34240994
2-chloro-N-[2-(2-methoxyphenoxy)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46558858
2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55887552

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 46448530) is 2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide is COc1cc(C(C)NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)ccc1OC(C)C.
What is the InChIKey of 2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is DGSUSZPUARNORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O5S/c1-14(2)26(6)32(28,29)18-9-10-20(24)19(13-18)23(27)25-16(5)17-8-11-21(31-15(3)4)22(12-17)30-7/h8-16H,1-7H3,(H,25,27).
What are the key properties of 2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 483.03 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 46448530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).