2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide

C30H30N2O5S — CID 43891625

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide
SMILESCOc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C30H30N2O5S/c1-36-28-19-18-26(20-29(28)37-2)32(38(34,35)27-16-10-5-11-17-27)23-30(33)31(21-24-12-6-3-7-13-24)22-25-14-8-4-9-15-25/h3-20H,21-23H2,1-2H3
InChIKeyKKELQGWKXGSZKO-UHFFFAOYSA-N
MW530.65 g/mol
LogP5.13
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide (PubChem CID 43891625) has the molecular formula C30H30N2O5S and a molecular weight of 530.65 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide
PubChem CID43891625
Molecular FormulaC30H30N2O5S
Molecular Weight530.65 g/mol
Exact Mass530.19
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide
SMILESCOc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C30H30N2O5S/c1-36-28-19-18-26(20-29(28)37-2)32(38(34,35)27-16-10-5-11-17-27)23-30(33)31(21-24-12-6-3-7-13-24)22-25-14-8-4-9-15-25/h3-20H,21-23H2,1-2H3
InChIKeyKKELQGWKXGSZKO-UHFFFAOYSA-N
XLogP5.13
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.65
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
N-benzyl-4-chloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021764
N-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 46021895
N,N-dibenzyl-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 22193700
2-[[2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetyl]-benzylamino]-N-propan-2-ylbutanamide
CID 132690844
N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43899402
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide
CID 30169640
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 51343527
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide
CID 998314
(2R)-2-[[2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetyl]-benzylamino]-N-cyclopentyl-3-phenylpropanamide
CID 125095940
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N,N-dibenzylacetamide
CID 2889288
(2R)-2-[[2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 125048807

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide (CID 43891625) is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide is COc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide?
The InChIKey is KKELQGWKXGSZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O5S/c1-36-28-19-18-26(20-29(28)37-2)32(38(34,35)27-16-10-5-11-17-27)23-30(33)31(21-24-12-6-3-7-13-24)22-25-14-8-4-9-15-25/h3-20H,21-23H2,1-2H3.
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide?
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide has a molecular weight of 530.65 g/mol, XLogP of 5.13, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide is sourced from PubChem (CID 43891625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).