N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide

C14H18N2O2S — CID 107026050

IUPACN-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cc(S)ccc1C
InChIInChI=1S/C14H18N2O2S/c1-9-5-6-10(19)8-11(9)14(18)16-7-3-4-12(16)13(17)15-2/h5-6,8,12,19H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyVRYMPBNVLZFBHR-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.63
Rot. Bonds2

About N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide

N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 107026050) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID107026050
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cc(S)ccc1C
InChIInChI=1S/C14H18N2O2S/c1-9-5-6-10(19)8-11(9)14(18)16-7-3-4-12(16)13(17)15-2/h5-6,8,12,19H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyVRYMPBNVLZFBHR-UHFFFAOYSA-N
XLogP1.63
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-5-sulfanylbenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 107026043
1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 120622455
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 54978967
1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61114622
1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 113231971
4-(2-fluoro-5-sulfanylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 107034027
1-(5-amino-2-methylpyridine-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 54979008
N-methyl-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxamide
CID 104547616
1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide
CID 79719629
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide (CID 107026050) is N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1cc(S)ccc1C.
What is the InChIKey of N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is VRYMPBNVLZFBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-5-6-10(19)8-11(9)14(18)16-7-3-4-12(16)13(17)15-2/h5-6,8,12,19H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide?
N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 107026050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).