5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide

C22H26ClN3O7S — CID 18973639

IUPAC5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide
SMILESCCOc1cc2c(cc1S(=O)(=O)NC(=O)NC)C(CNC(=O)c1cc(Cl)ccc1OC)CCO2
InChIInChI=1S/C22H26ClN3O7S/c1-4-32-19-11-18-15(10-20(19)34(29,30)26-22(28)24-2)13(7-8-33-18)12-25-21(27)16-9-14(23)5-6-17(16)31-3/h5-6,9-11,13H,4,7-8,12H2,1-3H3,(H,25,27)(H2,24,26,28)
InChIKeyQCZUWFDQWNXWSY-UHFFFAOYSA-N
MW511.98 g/mol
LogP2.66
Rot. Bonds8

About 5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide

5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide (PubChem CID 18973639) has the molecular formula C22H26ClN3O7S and a molecular weight of 511.98 g/mol. Its IUPAC name is 5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide
PubChem CID18973639
Molecular FormulaC22H26ClN3O7S
Molecular Weight511.98 g/mol
Exact Mass511.12
IUPAC Name5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide
SMILESCCOc1cc2c(cc1S(=O)(=O)NC(=O)NC)C(CNC(=O)c1cc(Cl)ccc1OC)CCO2
InChIInChI=1S/C22H26ClN3O7S/c1-4-32-19-11-18-15(10-20(19)34(29,30)26-22(28)24-2)13(7-8-33-18)12-25-21(27)16-9-14(23)5-6-17(16)31-3/h5-6,9-11,13H,4,7-8,12H2,1-3H3,(H,25,27)(H2,24,26,28)
InChIKeyQCZUWFDQWNXWSY-UHFFFAOYSA-N
XLogP2.66
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.98
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide
CID 18973615
5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide
CID 18973598
5-bromo-N-[1-[7-ethyl-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]-2-methoxybenzamide
CID 18973608
5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide
CID 67658342
5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 17297293
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
5-chloro-N-[2-[4-(furan-2-yl)-3-(methylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
CID 18476513
4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide
CID 119762210
5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide
CID 114146911
S-(methylamino) N-[[3-[(5-chloro-2-methoxybenzoyl)amino]-7-methoxy-3,4-dihydro-2H-chromen-6-yl]sulfonyl]carbamothioate
CID 22100490
cerium;5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
CID 88767103
trans-(1S,2R)-2-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755809

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide (CID 18973639) is 5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide is CCOc1cc2c(cc1S(=O)(=O)NC(=O)NC)C(CNC(=O)c1cc(Cl)ccc1OC)CCO2.
What is the InChIKey of 5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide?
The InChIKey is QCZUWFDQWNXWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O7S/c1-4-32-19-11-18-15(10-20(19)34(29,30)26-22(28)24-2)13(7-8-33-18)12-25-21(27)16-9-14(23)5-6-17(16)31-3/h5-6,9-11,13H,4,7-8,12H2,1-3H3,(H,25,27)(H2,24,26,28).
What are the key properties of 5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide?
5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide has a molecular weight of 511.98 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 18973639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).