N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide

C21H25N3O2S — CID 49005460

IUPACN-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide
SMILESCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)C(=O)c1ccccc1
InChIInChI=1S/C21H25N3O2S/c1-23(21(26)18-7-3-2-4-8-18)16-20(25)22-19-9-5-6-17(14-19)15-24-10-12-27-13-11-24/h2-9,14H,10-13,15-16H2,1H3,(H,22,25)
InChIKeyKUNNDWKVJBOCRH-UHFFFAOYSA-N
MW383.52 g/mol
LogP2.95
Rot. Bonds6

About N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide

N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide (PubChem CID 49005460) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide
PubChem CID49005460
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide
SMILESCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)C(=O)c1ccccc1
InChIInChI=1S/C21H25N3O2S/c1-23(21(26)18-7-3-2-4-8-18)16-20(25)22-19-9-5-6-17(14-19)15-24-10-12-27-13-11-24/h2-9,14H,10-13,15-16H2,1H3,(H,22,25)
InChIKeyKUNNDWKVJBOCRH-UHFFFAOYSA-N
XLogP2.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]thiophene-2-carboxamide
CID 55654517
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119869757
(E)-3-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 10830868
2-propan-2-ylsulfonyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 49005209
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540
3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869797
2-pyrrolidin-2-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119869806
2-(1-methylindol-3-yl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 166221496

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide (CID 49005460) is N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide is CN(CC(=O)Nc1cccc(CN2CCSCC2)c1)C(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide?
The InChIKey is KUNNDWKVJBOCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-23(21(26)18-7-3-2-4-8-18)16-20(25)22-19-9-5-6-17(14-19)15-24-10-12-27-13-11-24/h2-9,14H,10-13,15-16H2,1H3,(H,22,25).
What are the key properties of N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide?
N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide has a molecular weight of 383.52 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[3-(thiomorpholin-4-ylmethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 49005460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).