2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide

C14H17ClN2O2S — CID 146085920

IUPAC2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide
SMILESCc1ccc(C(=O)N2CCSCC2)cc1NC(=O)CCl
InChIInChI=1S/C14H17ClN2O2S/c1-10-2-3-11(8-12(10)16-13(18)9-15)14(19)17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,16,18)
InChIKeyWEFFPNVGOWQDJE-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.36
Rot. Bonds3

About 2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide

2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide (PubChem CID 146085920) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide
PubChem CID146085920
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide
SMILESCc1ccc(C(=O)N2CCSCC2)cc1NC(=O)CCl
InChIInChI=1S/C14H17ClN2O2S/c1-10-2-3-11(8-12(10)16-13(18)9-15)14(19)17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,16,18)
InChIKeyWEFFPNVGOWQDJE-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119761416
2-methyl-3-[methyl-[[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]amino]propanoic acid
CID 122079022
1-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-3-(2-phenylbutan-2-yl)urea
CID 86899655
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 51132350
N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 119310578
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977
4-[2-methyl-5-(thiomorpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid
CID 122029766
7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride
CID 119761404
4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 120590934
[3-methyl-4-(prop-2-ynylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 71858060
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
4-methyl-3-[[2-(thian-4-yl)acetyl]amino]benzoic acid
CID 83144754

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide (CID 146085920) is 2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide is Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is WEFFPNVGOWQDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-10-2-3-11(8-12(10)16-13(18)9-15)14(19)17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide?
2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 312.82 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 146085920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).