N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide

C30H29FN2O5S — CID 43899402

IUPACN,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2F)cc1OC
InChIInChI=1S/C30H29FN2O5S/c1-37-28-18-17-25(19-29(28)38-2)39(35,36)33(27-16-10-9-15-26(27)31)22-30(34)32(20-23-11-5-3-6-12-23)21-24-13-7-4-8-14-24/h3-19H,20-22H2,1-2H3
InChIKeyRVMKZLIDVCSGKB-UHFFFAOYSA-N
MW548.64 g/mol
LogP5.27
Rot. Bonds11

About N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide

N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide (PubChem CID 43899402) has the molecular formula C30H29FN2O5S and a molecular weight of 548.64 g/mol. Its IUPAC name is N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
PubChem CID43899402
Molecular FormulaC30H29FN2O5S
Molecular Weight548.64 g/mol
Exact Mass548.18
IUPAC NameN,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2F)cc1OC
InChIInChI=1S/C30H29FN2O5S/c1-37-28-18-17-25(19-29(28)38-2)39(35,36)33(27-16-10-9-15-26(27)31)22-30(34)32(20-23-11-5-3-6-12-23)21-24-13-7-4-8-14-24/h3-19H,20-22H2,1-2H3
InChIKeyRVMKZLIDVCSGKB-UHFFFAOYSA-N
XLogP5.27
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.64
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 30256831
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide
CID 43891625
2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100543852
N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43900869
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 30272961
N-(2-benzylbutyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43901290
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 43899643
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265573
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]piperidine-4-carboxamide
CID 30267622
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[3-(4-methylphenyl)propyl]acetamide
CID 30271537
N-[(3,4-diethoxyphenyl)methyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43901024
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 30266174

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide?
The IUPAC name of N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide (CID 43899402) is N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide.
What is the SMILES notation for N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide?
The canonical SMILES for N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2F)cc1OC.
What is the InChIKey of N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide?
The InChIKey is RVMKZLIDVCSGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN2O5S/c1-37-28-18-17-25(19-29(28)38-2)39(35,36)33(27-16-10-9-15-26(27)31)22-30(34)32(20-23-11-5-3-6-12-23)21-24-13-7-4-8-14-24/h3-19H,20-22H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide?
N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide has a molecular weight of 548.64 g/mol, XLogP of 5.27, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide is sourced from PubChem (CID 43899402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).