2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide

C21H27N3O5S2 — CID 31010638

IUPAC2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c(C)s1
InChIInChI=1S/C21H27N3O5S2/c1-15-13-18(16(2)30-15)21(25)22-19-14-17(31(26,27)24-7-11-29-12-8-24)3-4-20(19)23-5-9-28-10-6-23/h3-4,13-14H,5-12H2,1-2H3,(H,22,25)
InChIKeyDVOKVGHOINBKIP-UHFFFAOYSA-N
MW465.60 g/mol
LogP2.47
Rot. Bonds5

About 2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide

2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide (PubChem CID 31010638) has the molecular formula C21H27N3O5S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide
PubChem CID31010638
Molecular FormulaC21H27N3O5S2
Molecular Weight465.60 g/mol
Exact Mass465.14
IUPAC Name2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c(C)s1
InChIInChI=1S/C21H27N3O5S2/c1-15-13-18(16(2)30-15)21(25)22-19-14-17(31(26,27)24-7-11-29-12-8-24)3-4-20(19)23-5-9-28-10-6-23/h3-4,13-14H,5-12H2,1-2H3,(H,22,25)
InChIKeyDVOKVGHOINBKIP-UHFFFAOYSA-N
XLogP2.47
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4857247
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 4084205
2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3951129
3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4521937
N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 26909307
3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide
CID 43031283
2,5-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55375411
5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 4849644
2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 43077352
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
3-methoxy-4-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55411892
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide
CID 26289530

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide (CID 31010638) is 2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide is Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide?
The InChIKey is DVOKVGHOINBKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S2/c1-15-13-18(16(2)30-15)21(25)22-19-14-17(31(26,27)24-7-11-29-12-8-24)3-4-20(19)23-5-9-28-10-6-23/h3-4,13-14H,5-12H2,1-2H3,(H,22,25).
What are the key properties of 2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide?
2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 31010638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).