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

C21H27ClN2O5S — CID 55653587

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)ccc1OC(C)C
InChIInChI=1S/C21H27ClN2O5S/c1-13(2)29-19-10-7-15(11-20(19)28-6)14(3)23-21(25)17-12-16(8-9-18(17)22)30(26,27)24(4)5/h7-14H,1-6H3,(H,23,25)
InChIKeyOGPZGWDIIQBHNW-UHFFFAOYSA-N
MW454.98 g/mol
LogP3.88
Rot. Bonds8

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

2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 55653587) has the molecular formula C21H27ClN2O5S and a molecular weight of 454.98 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
PubChem CID55653587
Molecular FormulaC21H27ClN2O5S
Molecular Weight454.98 g/mol
Exact Mass454.13
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)ccc1OC(C)C
InChIInChI=1S/C21H27ClN2O5S/c1-13(2)29-19-10-7-15(11-20(19)28-6)14(3)23-21(25)17-12-16(8-9-18(17)22)30(26,27)24(4)5/h7-14H,1-6H3,(H,23,25)
InChIKeyOGPZGWDIIQBHNW-UHFFFAOYSA-N
XLogP3.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46448530
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-[(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
2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 34240994
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557368
5-bromo-2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 55748470
2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
CID 55894518
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-nitrobenzamide
CID 55653730

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide (CID 55653587) is 2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide is COc1cc(C(C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)ccc1OC(C)C.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide?
The InChIKey is OGPZGWDIIQBHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O5S/c1-13(2)29-19-10-7-15(11-20(19)28-6)14(3)23-21(25)17-12-16(8-9-18(17)22)30(26,27)24(4)5/h7-14H,1-6H3,(H,23,25).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 454.98 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55653587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).