2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride

C15H22ClN3O2S — CID 119761416

IUPAC2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-11-9-12(15(20)18-5-7-21-8-6-18)3-4-13(11)17-14(19)10-16-2;/h3-4,9,16H,5-8,10H2,1-2H3,(H,17,19);1H
InChIKeyFUWDFJBTNLYCKJ-UHFFFAOYSA-N
MW343.88 g/mol
LogP1.76
Rot. Bonds4

About 2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride

2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride (PubChem CID 119761416) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
PubChem CID119761416
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC Name2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-11-9-12(15(20)18-5-7-21-8-6-18)3-4-13(11)17-14(19)10-16-2;/h3-4,9,16H,5-8,10H2,1-2H3,(H,17,19);1H
InChIKeyFUWDFJBTNLYCKJ-UHFFFAOYSA-N
XLogP1.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride
CID 119761404
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 51132350
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977
4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 120590934
2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 146085920
[3-methyl-4-(prop-2-ynylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 71858060
2-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975715
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119761439
6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119183235
2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521757
N-ethyl-3-methyl-4-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119714183
2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
CID 60617448

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride (CID 119761416) is 2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride is CNCC(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C.Cl.
What is the InChIKey of 2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride?
The InChIKey is FUWDFJBTNLYCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S.ClH/c1-11-9-12(15(20)18-5-7-21-8-6-18)3-4-13(11)17-14(19)10-16-2;/h3-4,9,16H,5-8,10H2,1-2H3,(H,17,19);1H.
What are the key properties of 2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride?
2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride has a molecular weight of 343.88 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119761416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).