3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide

C23H27N3O5S2 — CID 53307866

IUPAC3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCOCCCOc1cc(CCc2ccccc2NS(C)(=O)=O)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C23H27N3O5S2/c1-30-11-5-12-31-20-15-17(14-19(16-20)22(27)25-23-24-10-13-32-23)8-9-18-6-3-4-7-21(18)26-33(2,28)29/h3-4,6-7,10,13-16,26H,5,8-9,11-12H2,1-2H3,(H,24,25,27)
InChIKeyYDCMVXMHXFMPKT-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.97
Rot. Bonds12

About 3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide

3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 53307866) has the molecular formula C23H27N3O5S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID53307866
Molecular FormulaC23H27N3O5S2
Molecular Weight489.62 g/mol
Exact Mass489.14
IUPAC Name3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide
SMILESCOCCCOc1cc(CCc2ccccc2NS(C)(=O)=O)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C23H27N3O5S2/c1-30-11-5-12-31-20-15-17(14-19(16-20)22(27)25-23-24-10-13-32-23)8-9-18-6-3-4-7-21(18)26-33(2,28)29/h3-4,6-7,10,13-16,26H,5,8-9,11-12H2,1-2H3,(H,24,25,27)
InChIKeyYDCMVXMHXFMPKT-UHFFFAOYSA-N
XLogP3.97
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[4-(N-acetylanilino)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 53308115
3-[2-[3-(N-acetylanilino)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 53307951
3-(3-methoxypropoxy)-5-[(E)-2-(2-nitrophenyl)ethenyl]-N-(1,3-thiazol-2-yl)benzamide
CID 53308260
3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361080
3-[2-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 87349662
4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 4956346
3-[2-(hydroxymethyl)prop-2-enyl]-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 10049120
3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361447
N-[2-(methanesulfonamido)phenyl]-3-propoxybenzamide
CID 51088953
3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 175248146
3-ethoxy-4-(2-phenoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 2472295
3,5-dichloro-4-methoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361254

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide (CID 53307866) is 3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide is COCCCOc1cc(CCc2ccccc2NS(C)(=O)=O)cc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is YDCMVXMHXFMPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S2/c1-30-11-5-12-31-20-15-17(14-19(16-20)22(27)25-23-24-10-13-32-23)8-9-18-6-3-4-7-21(18)26-33(2,28)29/h3-4,6-7,10,13-16,26H,5,8-9,11-12H2,1-2H3,(H,24,25,27).
What are the key properties of 3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide?
3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 489.62 g/mol, XLogP of 3.97, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(methanesulfonamido)phenyl]ethyl]-5-(3-methoxypropoxy)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 53307866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).