2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide

C32H30Cl4N4O6S2 — CID 21212091

IUPAC2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide
SMILESCN(CCN(C)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C32H30Cl4N4O6S2/c1-37(29(41)21-39(27-17-9-15-25(33)31(27)35)47(43,44)23-11-5-3-6-12-23)19-20-38(2)30(42)22-40(28-18-10-16-26(34)32(28)36)48(45,46)24-13-7-4-8-14-24/h3-18H,19-22H2,1-2H3
InChIKeyNLERSOTZGJSWMK-UHFFFAOYSA-N
MW772.56 g/mol
LogP6.31
Rot. Bonds13

About 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide (PubChem CID 21212091) has the molecular formula C32H30Cl4N4O6S2 and a molecular weight of 772.56 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide
PubChem CID21212091
Molecular FormulaC32H30Cl4N4O6S2
Molecular Weight772.56 g/mol
Exact Mass770.04
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide
SMILESCN(CCN(C)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C32H30Cl4N4O6S2/c1-37(29(41)21-39(27-17-9-15-25(33)31(27)35)47(43,44)23-11-5-3-6-12-23)19-20-38(2)30(42)22-40(28-18-10-16-26(34)32(28)36)48(45,46)24-13-7-4-8-14-24/h3-18H,19-22H2,1-2H3
InChIKeyNLERSOTZGJSWMK-UHFFFAOYSA-N
XLogP6.31
TPSA115.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.56
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide 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-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
CID 555613
2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid
CID 50889512
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide
CID 1298612
(2R)-2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100706561
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50892343
2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide
CID 132689952
2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)propanamide
CID 132748162
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
CID 21372093
2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-benzylamino]-N-ethylbutanamide
CID 132690154
2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-ethylpropanamide
CID 132693159
2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 132752380
(2R)-2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-[(2R)-butan-2-yl]butanamide
CID 100690176

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide (CID 21212091) is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide is CN(CCN(C)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide?
The InChIKey is NLERSOTZGJSWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Cl4N4O6S2/c1-37(29(41)21-39(27-17-9-15-25(33)31(27)35)47(43,44)23-11-5-3-6-12-23)19-20-38(2)30(42)22-40(28-18-10-16-26(34)32(28)36)48(45,46)24-13-7-4-8-14-24/h3-18H,19-22H2,1-2H3.
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide?
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide has a molecular weight of 772.56 g/mol, XLogP of 6.31, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide is sourced from PubChem (CID 21212091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).