4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

C22H28N2O6S2 — CID 55389189

IUPAC4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccs2)CC2CCCO2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H28N2O6S2/c1-28-20-7-6-17(14-21(20)32(26,27)24-8-11-29-12-9-24)22(25)23(15-18-4-2-10-30-18)16-19-5-3-13-31-19/h3,5-7,13-14,18H,2,4,8-12,15-16H2,1H3
InChIKeyUCZYTIRFARGNPP-UHFFFAOYSA-N
MW480.61 g/mol
LogP2.60
Rot. Bonds8

About 4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide

4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 55389189) has the molecular formula C22H28N2O6S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID55389189
Molecular FormulaC22H28N2O6S2
Molecular Weight480.61 g/mol
Exact Mass480.14
IUPAC Name4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccs2)CC2CCCO2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H28N2O6S2/c1-28-20-7-6-17(14-21(20)32(26,27)24-8-11-29-12-9-24)22(25)23(15-18-4-2-10-30-18)16-19-5-3-13-31-19/h3,5-7,13-14,18H,2,4,8-12,15-16H2,1H3
InChIKeyUCZYTIRFARGNPP-UHFFFAOYSA-N
XLogP2.60
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389080
3-(azepan-1-ylsulfonyl)-4-chloro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 134015179
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119206282
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 17474274
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 26003172
3,4-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60601065
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55389188
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 95287975
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 41134910
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197
3-iodo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389165

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 55389189) is 4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2cccs2)CC2CCCO2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is UCZYTIRFARGNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S2/c1-28-20-7-6-17(14-21(20)32(26,27)24-8-11-29-12-9-24)22(25)23(15-18-4-2-10-30-18)16-19-5-3-13-31-19/h3,5-7,13-14,18H,2,4,8-12,15-16H2,1H3.
What are the key properties of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide?
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 480.61 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 55389189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).