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

C29H27FN2O5S — CID 43900869

IUPACN-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2F)cc1OC
InChIInChI=1S/C29H27FN2O5S/c1-36-26-18-17-23(19-27(26)37-2)38(34,35)32(25-16-10-9-15-24(25)30)20-28(33)31-29(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-19,29H,20H2,1-2H3,(H,31,33)
InChIKeyGZHBEKRCGWMQKM-UHFFFAOYSA-N
MW534.61 g/mol
LogP4.94
Rot. Bonds10

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

N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide (PubChem CID 43900869) has the molecular formula C29H27FN2O5S and a molecular weight of 534.61 g/mol. Its IUPAC name is N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
PubChem CID43900869
Molecular FormulaC29H27FN2O5S
Molecular Weight534.61 g/mol
Exact Mass534.16
IUPAC NameN-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2F)cc1OC
InChIInChI=1S/C29H27FN2O5S/c1-36-26-18-17-23(19-27(26)37-2)38(34,35)32(25-16-10-9-15-24(25)30)20-28(33)31-29(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-19,29H,20H2,1-2H3,(H,31,33)
InChIKeyGZHBEKRCGWMQKM-UHFFFAOYSA-N
XLogP4.94
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.61
LogP ≤ 54.94
H-Bond Donors ≤ 51
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)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 43892812
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30304751
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43901622
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 99644439
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43904268
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 30266174
N-(2-benzylbutyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43901290
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43898881
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-naphthalen-1-ylacetamide
CID 30259391
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257028
N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30276576

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide?
The IUPAC name of N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide (CID 43900869) is N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide.
What is the SMILES notation for N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide?
The canonical SMILES for N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2F)cc1OC.
What is the InChIKey of N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide?
The InChIKey is GZHBEKRCGWMQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN2O5S/c1-36-26-18-17-23(19-27(26)37-2)38(34,35)32(25-16-10-9-15-24(25)30)20-28(33)31-29(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-19,29H,20H2,1-2H3,(H,31,33).
What are the key properties of N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide?
N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide has a molecular weight of 534.61 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide is sourced from PubChem (CID 43900869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).