N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide

C17H20N2O2S — CID 166427451

IUPACN-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESCc1c(NC(=O)C23CC2C3)cccc1C(=O)N1CCSCC1
InChIInChI=1S/C17H20N2O2S/c1-11-13(15(20)19-5-7-22-8-6-19)3-2-4-14(11)18-16(21)17-9-12(17)10-17/h2-4,12H,5-10H2,1H3,(H,18,21)
InChIKeyFJXUSQRPTGSGEZ-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.53
Rot. Bonds3

About N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide

N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 166427451) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
PubChem CID166427451
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESCc1c(NC(=O)C23CC2C3)cccc1C(=O)N1CCSCC1
InChIInChI=1S/C17H20N2O2S/c1-11-13(15(20)19-5-7-22-8-6-19)3-2-4-14(11)18-16(21)17-9-12(17)10-17/h2-4,12H,5-10H2,1H3,(H,18,21)
InChIKeyFJXUSQRPTGSGEZ-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119310619
(3R)-3-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide
CID 99790592
3-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide
CID 102555612
2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119761388
trans-(1S,2S)-2-ethoxy-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 124628513
3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 119761379
(3-amino-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 28786513
(3-iodo-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 71918877
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone
CID 47089952
2-(1-hydroxycyclohexyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111332036
4-[2-[2-methyl-3-(thiomorpholine-4-carbonyl)anilino]ethoxy]benzonitrile
CID 60609648
(2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 97283810

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide (CID 166427451) is N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide is Cc1c(NC(=O)C23CC2C3)cccc1C(=O)N1CCSCC1.
What is the InChIKey of N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is FJXUSQRPTGSGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-13(15(20)19-5-7-22-8-6-19)3-2-4-14(11)18-16(21)17-9-12(17)10-17/h2-4,12H,5-10H2,1H3,(H,18,21).
What are the key properties of N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide?
N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 166427451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).