4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide

C23H23N3O5S2 — CID 23098487

IUPAC4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(SC(C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C23H23N3O5S2/c1-15(22(27)25-18-7-13-21(14-8-18)33(24,29)30)32-20-11-5-17(6-12-20)26-23(28)16-3-9-19(31-2)10-4-16/h3-15H,1-2H3,(H,25,27)(H,26,28)(H2,24,29,30)
InChIKeyQYGLMEAMPMFOAM-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.71
Rot. Bonds8

About 4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide

4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide (PubChem CID 23098487) has the molecular formula C23H23N3O5S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide
PubChem CID23098487
Molecular FormulaC23H23N3O5S2
Molecular Weight485.59 g/mol
Exact Mass485.11
IUPAC Name4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(SC(C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C23H23N3O5S2/c1-15(22(27)25-18-7-13-21(14-8-18)33(24,29)30)32-20-11-5-17(6-12-20)26-23(28)16-3-9-19(31-2)10-4-16/h3-15H,1-2H3,(H,25,27)(H,26,28)(H2,24,29,30)
InChIKeyQYGLMEAMPMFOAM-UHFFFAOYSA-N
XLogP3.71
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[4-[1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 22782674
N-[4-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 22780100
(2R)-2-(4-fluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2639557
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide
CID 18587119
(2S)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 41326927
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
2,3,4,5-tetrachloro-6-[[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785462
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 25400706
N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 22777234
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 7737171

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide (CID 23098487) is 4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide is COc1ccc(C(=O)Nc2ccc(SC(C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide?
The InChIKey is QYGLMEAMPMFOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S2/c1-15(22(27)25-18-7-13-21(14-8-18)33(24,29)30)32-20-11-5-17(6-12-20)26-23(28)16-3-9-19(31-2)10-4-16/h3-15H,1-2H3,(H,25,27)(H,26,28)(H2,24,29,30).
What are the key properties of 4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide?
4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide has a molecular weight of 485.59 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide is sourced from PubChem (CID 23098487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).