N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C19H19N3O4S2 — CID 46404196

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)c2)cs1
InChIInChI=1S/C19H19N3O4S2/c1-13-20-16(12-27-13)14-5-4-6-15(11-14)21-19(23)17-7-8-18(26-17)28(24,25)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10H2,1H3,(H,21,23)
InChIKeyDEGDMERWIMSOTI-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.75
Rot. Bonds5

About N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 46404196) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID46404196
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)c2)cs1
InChIInChI=1S/C19H19N3O4S2/c1-13-20-16(12-27-13)14-5-4-6-15(11-14)21-19(23)17-7-8-18(26-17)28(24,25)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10H2,1H3,(H,21,23)
InChIKeyDEGDMERWIMSOTI-UHFFFAOYSA-N
XLogP3.75
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(azepan-1-ylsulfonyl)anilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55362336
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55365291
N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46408539
5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 47045161
(3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100795995
methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 55633021
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24641452
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633164
2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 87012122
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 125046922

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 46404196) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1nc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)c2)cs1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is DEGDMERWIMSOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-13-20-16(12-27-13)14-5-4-6-15(11-14)21-19(23)17-7-8-18(26-17)28(24,25)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10H2,1H3,(H,21,23).
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 46404196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).