N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide

C20H25N3O4S2 — CID 110200289

IUPACN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1CC(c2ccccc2)N(C(=O)CNS(=O)(=O)c2cccs2)CCCCCN1
InChIInChI=1S/C20H25N3O4S2/c24-18-14-17(16-8-3-1-4-9-16)23(12-6-2-5-11-21-18)19(25)15-22-29(26,27)20-10-7-13-28-20/h1,3-4,7-10,13,17,22H,2,5-6,11-12,14-15H2,(H,21,24)
InChIKeyZTMKQHMURBNGIE-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.29
Rot. Bonds5

About N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide

N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110200289) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110200289
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC NameN-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1CC(c2ccccc2)N(C(=O)CNS(=O)(=O)c2cccs2)CCCCCN1
InChIInChI=1S/C20H25N3O4S2/c24-18-14-17(16-8-3-1-4-9-16)23(12-6-2-5-11-21-18)19(25)15-22-29(26,27)20-10-7-13-28-20/h1,3-4,7-10,13,17,22H,2,5-6,11-12,14-15H2,(H,21,24)
InChIKeyZTMKQHMURBNGIE-UHFFFAOYSA-N
XLogP2.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]cyclohexanecarboxamide
CID 110200185
N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]thiophene-2-sulfonamide
CID 91836688
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-pyridin-4-ylacetamide
CID 110200231
1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-3-phenylurea
CID 110200269
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-3-carboxamide
CID 110200186
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
CID 110200267
2-cyclopentyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]acetamide
CID 110202264
5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one
CID 110200135
4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
CID 110202198
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110200266
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]furan-2-carboxamide
CID 110202267
6-methyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazacycloundec-1-yl)ethyl]pyridine-3-carboxamide
CID 110202252

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide (CID 110200289) is N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide is O=C1CC(c2ccccc2)N(C(=O)CNS(=O)(=O)c2cccs2)CCCCCN1.
What is the InChIKey of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ZTMKQHMURBNGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c24-18-14-17(16-8-3-1-4-9-16)23(12-6-2-5-11-21-18)19(25)15-22-29(26,27)20-10-7-13-28-20/h1,3-4,7-10,13,17,22H,2,5-6,11-12,14-15H2,(H,21,24).
What are the key properties of N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 435.57 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110200289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).