2-methoxy-N-morpholin-2-ylsulfanylbenzamide

C12H16N2O3S — CID 21140376

IUPAC2-methoxy-N-morpholin-2-ylsulfanylbenzamide
SMILESCOc1ccccc1C(=O)NSC1CNCCO1
InChIInChI=1S/C12H16N2O3S/c1-16-10-5-3-2-4-9(10)12(15)14-18-11-8-13-6-7-17-11/h2-5,11,13H,6-8H2,1H3,(H,14,15)
InChIKeySFTYFBPMROQUMR-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.02
Rot. Bonds4

About 2-methoxy-N-morpholin-2-ylsulfanylbenzamide

2-methoxy-N-morpholin-2-ylsulfanylbenzamide (PubChem CID 21140376) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-methoxy-N-morpholin-2-ylsulfanylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-morpholin-2-ylsulfanylbenzamide
PubChem CID21140376
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-methoxy-N-morpholin-2-ylsulfanylbenzamide
SMILESCOc1ccccc1C(=O)NSC1CNCCO1
InChIInChI=1S/C12H16N2O3S/c1-16-10-5-3-2-4-9(10)12(15)14-18-11-8-13-6-7-17-11/h2-5,11,13H,6-8H2,1H3,(H,14,15)
InChIKeySFTYFBPMROQUMR-UHFFFAOYSA-N
XLogP1.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
2-methoxy-N-[(3R,4S)-3-methoxypiperidin-4-yl]benzamide
CID 58025543
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140
1-[2-(2-methoxyethoxy)phenyl]-2-morpholin-2-ylethanone
CID 116586332
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
CID 119816799
2-(3,4-dimethoxyphenyl)sulfanylmorpholine
CID 117034183
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide
CID 110732808
(2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride
CID 174377546
2-(difluoromethoxy)-N-(morpholin-2-ylmethyl)benzamide
CID 43602974
2-methoxybenzohydrazide
CID 24051
(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
CID 748723

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-morpholin-2-ylsulfanylbenzamide?
The IUPAC name of 2-methoxy-N-morpholin-2-ylsulfanylbenzamide (CID 21140376) is 2-methoxy-N-morpholin-2-ylsulfanylbenzamide.
What is the SMILES notation for 2-methoxy-N-morpholin-2-ylsulfanylbenzamide?
The canonical SMILES for 2-methoxy-N-morpholin-2-ylsulfanylbenzamide is COc1ccccc1C(=O)NSC1CNCCO1.
What is the InChIKey of 2-methoxy-N-morpholin-2-ylsulfanylbenzamide?
The InChIKey is SFTYFBPMROQUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-16-10-5-3-2-4-9(10)12(15)14-18-11-8-13-6-7-17-11/h2-5,11,13H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-methoxy-N-morpholin-2-ylsulfanylbenzamide?
2-methoxy-N-morpholin-2-ylsulfanylbenzamide has a molecular weight of 268.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-morpholin-2-ylsulfanylbenzamide is sourced from PubChem (CID 21140376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).