N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C18H19N3O4S2 — CID 55759058

IUPACN-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)N(C)c2nc3ccccc3s2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H19N3O4S2/c1-12-16(27(23,24)21-9-5-6-10-21)11-14(25-12)17(22)20(2)18-19-13-7-3-4-8-15(13)26-18/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyPGCWLLZCZDRRTM-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.26
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55759058) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55759058
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)N(C)c2nc3ccccc3s2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H19N3O4S2/c1-12-16(27(23,24)21-9-5-6-10-21)11-14(25-12)17(22)20(2)18-19-13-7-3-4-8-15(13)26-18/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyPGCWLLZCZDRRTM-UHFFFAOYSA-N
XLogP3.26
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-fluoro-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37494431
N-(1,3-benzothiazol-2-yl)-5-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonylfuran-2-carboxamide
CID 51894306
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
N-(1,3-benzothiazol-2-yl)-N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 34189725
(2-hydroxyphenyl)-[4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 55849974
N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 25469078
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32622153
4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 18576586
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94034180
trans-(1S,2S)-N-(1,3-benzothiazol-2-yl)-N,2-dimethylcyclopropane-1-carboxamide
CID 34248200
(2S)-2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 119372503
N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride
CID 119441800

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 55759058) is N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1oc(C(=O)N(C)c2nc3ccccc3s2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is PGCWLLZCZDRRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-12-16(27(23,24)21-9-5-6-10-21)11-14(25-12)17(22)20(2)18-19-13-7-3-4-8-15(13)26-18/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55759058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).