2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide

C23H29ClN2O4S — CID 55589971

IUPAC2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
SMILESCOCCN(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl
InChIInChI=1S/C23H29ClN2O4S/c1-17(2)15-25(12-13-30-3)23(27)21-14-20(8-9-22(21)24)31(28,29)26-11-10-18-6-4-5-7-19(18)16-26/h4-9,14,17H,10-13,15-16H2,1-3H3
InChIKeyNTUIHOPSAKPOHD-UHFFFAOYSA-N
MW465.02 g/mol
LogP3.83
Rot. Bonds8

About 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide

2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide (PubChem CID 55589971) has the molecular formula C23H29ClN2O4S and a molecular weight of 465.02 g/mol. Its IUPAC name is 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
PubChem CID55589971
Molecular FormulaC23H29ClN2O4S
Molecular Weight465.02 g/mol
Exact Mass464.15
IUPAC Name2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
SMILESCOCCN(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl
InChIInChI=1S/C23H29ClN2O4S/c1-17(2)15-25(12-13-30-3)23(27)21-14-20(8-9-22(21)24)31(28,29)26-11-10-18-6-4-5-7-19(18)16-26/h4-9,14,17H,10-13,15-16H2,1-3H3
InChIKeyNTUIHOPSAKPOHD-UHFFFAOYSA-N
XLogP3.83
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethylbenzamide
CID 86939438
2-chloro-N,N-bis(2-methoxyethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 25408393
methyl 3-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)-(2-methylpropyl)amino]propanoate
CID 55890902
2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 55344689
[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 18108567
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 16546265
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxybenzoic acid
CID 737522
2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 16553055
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-methoxypropan-2-yl)benzamide
CID 42904855
N-(3-acetylphenyl)-2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 16552776
2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969320
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N,N-diethylbenzamide
CID 17418791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide (CID 55589971) is 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide is COCCN(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide?
The InChIKey is NTUIHOPSAKPOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4S/c1-17(2)15-25(12-13-30-3)23(27)21-14-20(8-9-22(21)24)31(28,29)26-11-10-18-6-4-5-7-19(18)16-26/h4-9,14,17H,10-13,15-16H2,1-3H3.
What are the key properties of 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide?
2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide has a molecular weight of 465.02 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 55589971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).