N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide

C30H32N2O6S2 — CID 101196699

IUPACN-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)c2ccc(C)cc2)C(NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H32N2O6S2/c1-21-5-17-27(18-6-21)39(33,34)31-29(23-9-13-25(37-3)14-10-23)30(24-11-15-26(38-4)16-12-24)32-40(35,36)28-19-7-22(2)8-20-28/h5-20,29-32H,1-4H3
InChIKeyDHESZVDYLPTFER-UHFFFAOYSA-N
MW580.73 g/mol
LogP5.06
Rot. Bonds11

About N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide

N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide (PubChem CID 101196699) has the molecular formula C30H32N2O6S2 and a molecular weight of 580.73 g/mol. Its IUPAC name is N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
PubChem CID101196699
Molecular FormulaC30H32N2O6S2
Molecular Weight580.73 g/mol
Exact Mass580.17
IUPAC NameN-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)c2ccc(C)cc2)C(NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H32N2O6S2/c1-21-5-17-27(18-6-21)39(33,34)31-29(23-9-13-25(37-3)14-10-23)30(24-11-15-26(38-4)16-12-24)32-40(35,36)28-19-7-22(2)8-20-28/h5-20,29-32H,1-4H3
InChIKeyDHESZVDYLPTFER-UHFFFAOYSA-N
XLogP5.06
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 122378100
N-[1-(4-methoxyphenyl)-2-nitrobutyl]-4-methylbenzenesulfonamide
CID 134984786
ethyl 2-[(4-methoxyphenyl)-[(4-methylphenyl)sulfonylamino]methyl]-3-oxobutanoate
CID 71579305
N-[cyano-(4-methylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 110664230
4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide
CID 2794488
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254
N-[(1R,2R)-2-[3-(4-methoxyphenyl)propylamino]-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 102106512
N-[(1S,2S)-3-(4-methoxyphenyl)-3-oxo-1,2-diphenylpropyl]-4-methylbenzenesulfonamide
CID 135056806
S-phenyl (2S,3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-2-phenylpropanethioate
CID 135064734
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
N-[(R)-(4-methoxyphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 154713228
N-[(E)-1-(4-methoxyphenyl)-2-oxopent-3-enyl]-4-methylbenzenesulfonamide
CID 101492710

Frequently Asked Questions

What is the IUPAC name of N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide (CID 101196699) is N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide is COc1ccc(C(NS(=O)(=O)c2ccc(C)cc2)C(NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is DHESZVDYLPTFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O6S2/c1-21-5-17-27(18-6-21)39(33,34)31-29(23-9-13-25(37-3)14-10-23)30(24-11-15-26(38-4)16-12-24)32-40(35,36)28-19-7-22(2)8-20-28/h5-20,29-32H,1-4H3.
What are the key properties of N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide?
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 580.73 g/mol, XLogP of 5.06, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101196699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).