4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide

C21H21N3O4S2 — CID 91625770

IUPAC4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1-c1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O4S2/c25-21(23-15-17-3-1-9-22-20(17)19-4-2-14-29-19)16-5-7-18(8-6-16)30(26,27)24-10-12-28-13-11-24/h1-9,14H,10-13,15H2,(H,23,25)
InChIKeyFYDRHXCOSFIHJS-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.76
Rot. Bonds6

About 4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide

4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide (PubChem CID 91625770) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
PubChem CID91625770
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC Name4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1-c1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O4S2/c25-21(23-15-17-3-1-9-22-20(17)19-4-2-14-29-19)16-5-7-18(8-6-16)30(26,27)24-10-12-28-13-11-24/h1-9,14H,10-13,15H2,(H,23,25)
InChIKeyFYDRHXCOSFIHJS-UHFFFAOYSA-N
XLogP2.76
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide (CID 91625770) is 4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1cccnc1-c1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is FYDRHXCOSFIHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c25-21(23-15-17-3-1-9-22-20(17)19-4-2-14-29-19)16-5-7-18(8-6-16)30(26,27)24-10-12-28-13-11-24/h1-9,14H,10-13,15H2,(H,23,25).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide?
4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 91625770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).