N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide

C25H27N3O4S2 — CID 4877934

IUPACN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1sccc1-c1ccccc1
InChIInChI=1S/C25H27N3O4S2/c29-25(24-21(10-17-33-24)19-6-2-1-3-7-19)26-22-18-20(8-9-23(22)27-11-4-5-12-27)34(30,31)28-13-15-32-16-14-28/h1-3,6-10,17-18H,4-5,11-16H2,(H,26,29)
InChIKeyJHUXMKAZQXMVSD-UHFFFAOYSA-N
MW497.64 g/mol
LogP4.29
Rot. Bonds6

About N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide

N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide (PubChem CID 4877934) has the molecular formula C25H27N3O4S2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide
PubChem CID4877934
Molecular FormulaC25H27N3O4S2
Molecular Weight497.64 g/mol
Exact Mass497.14
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1sccc1-c1ccccc1
InChIInChI=1S/C25H27N3O4S2/c29-25(24-21(10-17-33-24)19-6-2-1-3-7-19)26-22-18-20(8-9-23(22)27-11-4-5-12-27)34(30,31)28-13-15-32-16-14-28/h1-3,6-10,17-18H,4-5,11-16H2,(H,26,29)
InChIKeyJHUXMKAZQXMVSD-UHFFFAOYSA-N
XLogP4.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 8001425
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16546070
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-(4-phenylphenyl)acetamide
CID 4849659
2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3951129
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
CID 166404561
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55329357
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
3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide
CID 43031283
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 2714735

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide (CID 4877934) is N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1sccc1-c1ccccc1.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide?
The InChIKey is JHUXMKAZQXMVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S2/c29-25(24-21(10-17-33-24)19-6-2-1-3-7-19)26-22-18-20(8-9-23(22)27-11-4-5-12-27)34(30,31)28-13-15-32-16-14-28/h1-3,6-10,17-18H,4-5,11-16H2,(H,26,29).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide?
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 4877934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).