2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide

C30H30N2O5S — CID 43907685

IUPAC2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C30H30N2O5S/c1-22-13-16-25(17-14-22)38(34,35)32(21-23-9-5-4-6-10-23)27-12-8-7-11-26(27)30(33)31-20-24-15-18-28(36-2)29(19-24)37-3/h4-19H,20-21H2,1-3H3,(H,31,33)
InChIKeyBJBBZMLHDYYMTD-UHFFFAOYSA-N
MW530.65 g/mol
LogP5.34
Rot. Bonds10

About 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide (PubChem CID 43907685) has the molecular formula C30H30N2O5S and a molecular weight of 530.65 g/mol. Its IUPAC name is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
PubChem CID43907685
Molecular FormulaC30H30N2O5S
Molecular Weight530.65 g/mol
Exact Mass530.19
IUPAC Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C30H30N2O5S/c1-22-13-16-25(17-14-22)38(34,35)32(21-23-9-5-4-6-10-23)27-12-8-7-11-26(27)30(33)31-20-24-15-18-28(36-2)29(19-24)37-3/h4-19H,20-21H2,1-3H3,(H,31,33)
InChIKeyBJBBZMLHDYYMTD-UHFFFAOYSA-N
XLogP5.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.65
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)benzamide
CID 17312901
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 1235274
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]benzamide
CID 99940224
N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzamide
CID 126307592
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 43877159
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 99939946
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 46778138
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 2194165
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 2548359
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-nitrophenyl)benzamide
CID 1314113
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 30306922
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94862659

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide (CID 43907685) is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The InChIKey is BJBBZMLHDYYMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O5S/c1-22-13-16-25(17-14-22)38(34,35)32(21-23-9-5-4-6-10-23)27-12-8-7-11-26(27)30(33)31-20-24-15-18-28(36-2)29(19-24)37-3/h4-19H,20-21H2,1-3H3,(H,31,33).
What are the key properties of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide has a molecular weight of 530.65 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 43907685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).