2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide

C23H30ClN3O5S — CID 55902702

IUPAC2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCCC(NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C23H30ClN3O5S/c1-6-20(17-9-7-8-10-21(17)32-14-22(28)27(4)5)25-23(29)18-13-16(11-12-19(18)24)33(30,31)26-15(2)3/h7-13,15,20,26H,6,14H2,1-5H3,(H,25,29)
InChIKeyFNLUNMASXQBNSC-UHFFFAOYSA-N
MW496.03 g/mol
LogP3.37
Rot. Bonds10

About 2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide

2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55902702) has the molecular formula C23H30ClN3O5S and a molecular weight of 496.03 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID55902702
Molecular FormulaC23H30ClN3O5S
Molecular Weight496.03 g/mol
Exact Mass495.16
IUPAC Name2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCCC(NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C23H30ClN3O5S/c1-6-20(17-9-7-8-10-21(17)32-14-22(28)27(4)5)25-23(29)18-13-16(11-12-19(18)24)33(30,31)26-15(2)3/h7-13,15,20,26H,6,14H2,1-5H3,(H,25,29)
InChIKeyFNLUNMASXQBNSC-UHFFFAOYSA-N
XLogP3.37
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.03
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide
CID 55993372
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide
CID 55901936
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55901687
(2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55958606
3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide
CID 55957713
4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
CID 55902194
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 55901041
6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid
CID 119180806
3-(3-chloro-4-methylphenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]prop-2-enamide
CID 55902188
2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55492162
methyl 3-(4-chlorophenyl)-3-[[2-chloro-5-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55439490
N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide
CID 167821829

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide (CID 55902702) is 2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide is CCC(NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl)c1ccccc1OCC(=O)N(C)C.
What is the InChIKey of 2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is FNLUNMASXQBNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O5S/c1-6-20(17-9-7-8-10-21(17)32-14-22(28)27(4)5)25-23(29)18-13-16(11-12-19(18)24)33(30,31)26-15(2)3/h7-13,15,20,26H,6,14H2,1-5H3,(H,25,29).
What are the key properties of 2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide?
2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 496.03 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55902702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).