3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide

C22H25N3O3S — CID 1200685

IUPAC3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc2oc(SCc3cccc(C(=O)NCCN4CCOCC4)c3)nc2c1
InChIInChI=1S/C22H25N3O3S/c1-16-5-6-20-19(13-16)24-22(28-20)29-15-17-3-2-4-18(14-17)21(26)23-7-8-25-9-11-27-12-10-25/h2-6,13-14H,7-12,15H2,1H3,(H,23,26)
InChIKeyDNSBHHZWYIYIIF-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.49
Rot. Bonds7

About 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide

3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 1200685) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID1200685
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc2oc(SCc3cccc(C(=O)NCCN4CCOCC4)c3)nc2c1
InChIInChI=1S/C22H25N3O3S/c1-16-5-6-20-19(13-16)24-22(28-20)29-15-17-3-2-4-18(14-17)21(26)23-7-8-25-9-11-27-12-10-25/h2-6,13-14H,7-12,15H2,1H3,(H,23,26)
InChIKeyDNSBHHZWYIYIIF-UHFFFAOYSA-N
XLogP3.49
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

(4-ethylpiperazin-1-yl)-[3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]methanone
CID 1200687
3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42739493
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
3-(methoxymethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 51218992
3-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42754190
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
CID 100794566

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 1200685) is 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc2oc(SCc3cccc(C(=O)NCCN4CCOCC4)c3)nc2c1.
What is the InChIKey of 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is DNSBHHZWYIYIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-16-5-6-20-19(13-16)24-22(28-20)29-15-17-3-2-4-18(14-17)21(26)23-7-8-25-9-11-27-12-10-25/h2-6,13-14H,7-12,15H2,1H3,(H,23,26).
What are the key properties of 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 411.53 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 1200685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).