5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C21H25N3O4S2 — CID 53156378

IUPAC5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESO=C(C1CC1)N1CCc2sc(S(=O)(=O)Nc3ccc(N4CCOCC4)cc3)cc2C1
InChIInChI=1S/C21H25N3O4S2/c25-21(15-1-2-15)24-8-7-19-16(14-24)13-20(29-19)30(26,27)22-17-3-5-18(6-4-17)23-9-11-28-12-10-23/h3-6,13,15,22H,1-2,7-12,14H2
InChIKeyYOUXEJNFWDGRLQ-UHFFFAOYSA-N
MW447.58 g/mol
LogP2.68
Rot. Bonds5

About 5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156378) has the molecular formula C21H25N3O4S2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156378
Molecular FormulaC21H25N3O4S2
Molecular Weight447.58 g/mol
Exact Mass447.13
IUPAC Name5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESO=C(C1CC1)N1CCc2sc(S(=O)(=O)Nc3ccc(N4CCOCC4)cc3)cc2C1
InChIInChI=1S/C21H25N3O4S2/c25-21(15-1-2-15)24-8-7-19-16(14-24)13-20(29-19)30(26,27)22-17-3-5-18(6-4-17)23-9-11-28-12-10-23/h3-6,13,15,22H,1-2,7-12,14H2
InChIKeyYOUXEJNFWDGRLQ-UHFFFAOYSA-N
XLogP2.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156378) is 5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is O=C(C1CC1)N1CCc2sc(S(=O)(=O)Nc3ccc(N4CCOCC4)cc3)cc2C1.
What is the InChIKey of 5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is YOUXEJNFWDGRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S2/c25-21(15-1-2-15)24-8-7-19-16(14-24)13-20(29-19)30(26,27)22-17-3-5-18(6-4-17)23-9-11-28-12-10-23/h3-6,13,15,22H,1-2,7-12,14H2.
What are the key properties of 5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 447.58 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonyl)-N-(4-morpholin-4-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).