4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide

C20H26N4O3S — CID 118729222

IUPAC4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(CCN1CCOCC1)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H26N4O3S/c1-15(6-8-24-9-11-27-12-10-24)14-18(25)22-17-4-2-16(3-5-17)19(26)23-20-21-7-13-28-20/h2-5,7,13,15H,6,8-12,14H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyXXKSMVQSCWXLCH-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.08
Rot. Bonds8

About 4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide

4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 118729222) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID118729222
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(CCN1CCOCC1)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H26N4O3S/c1-15(6-8-24-9-11-27-12-10-24)14-18(25)22-17-4-2-16(3-5-17)19(26)23-20-21-7-13-28-20/h2-5,7,13,15H,6,8-12,14H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyXXKSMVQSCWXLCH-UHFFFAOYSA-N
XLogP3.08
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide (CID 118729222) is 4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide is CC(CCN1CCOCC1)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is XXKSMVQSCWXLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-15(6-8-24-9-11-27-12-10-24)14-18(25)22-17-4-2-16(3-5-17)19(26)23-20-21-7-13-28-20/h2-5,7,13,15H,6,8-12,14H2,1H3,(H,22,25)(H,21,23,26).
What are the key properties of 4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-5-morpholin-4-ylpentanoyl)amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 118729222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).