(2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide

C18H22N4O2S — CID 92632529

IUPAC(2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide
SMILESC[C@@]1(C(=O)NC2CCCC2)CCCN1C(=O)c1ccc2nsnc2c1
InChIInChI=1S/C18H22N4O2S/c1-18(17(24)19-13-5-2-3-6-13)9-4-10-22(18)16(23)12-7-8-14-15(11-12)21-25-20-14/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,24)/t18-/m0/s1
InChIKeyBXAIGFZSNGQRQT-SFHVURJKSA-N
MW358.47 g/mol
LogP2.74
Rot. Bonds3

About (2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide

(2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide (PubChem CID 92632529) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is (2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide
PubChem CID92632529
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name(2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide
SMILESC[C@@]1(C(=O)NC2CCCC2)CCCN1C(=O)c1ccc2nsnc2c1
InChIInChI=1S/C18H22N4O2S/c1-18(17(24)19-13-5-2-3-6-13)9-4-10-22(18)16(23)12-7-8-14-15(11-12)21-25-20-14/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,24)/t18-/m0/s1
InChIKeyBXAIGFZSNGQRQT-SFHVURJKSA-N
XLogP2.74
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119477845
N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide
CID 110249134
1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 154780029
(2S)-N-cyclopentyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide
CID 92632323
(2R)-N-cyclopentyl-2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 92632344
(2R)-N-cyclopentyl-2-methyl-1-[2-(2-methylimidazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 95851894
1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide
CID 167910630
1-(2-amino-1,3-benzothiazole-6-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65349172
N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119616462
2,1,3-benzothiadiazol-5-yl-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone
CID 131702364
1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide
CID 136526263
cyclopropylmethyl 2-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]acetate
CID 56805895

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide (CID 92632529) is (2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide is C[C@@]1(C(=O)NC2CCCC2)CCCN1C(=O)c1ccc2nsnc2c1.
What is the InChIKey of (2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide?
The InChIKey is BXAIGFZSNGQRQT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-18(17(24)19-13-5-2-3-6-13)9-4-10-22(18)16(23)12-7-8-14-15(11-12)21-25-20-14/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,24)/t18-/m0/s1.
What are the key properties of (2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide?
(2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,1,3-benzothiadiazole-5-carbonyl)-N-cyclopentyl-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 92632529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).