N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide

C19H25N3O2S — CID 124816311

IUPACN-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCc1ccc(CN2C[C@@H]3C[C@@H](CNC(=O)c4cccn4C)O[C@@H]3C2)s1
InChIInChI=1S/C19H25N3O2S/c1-13-5-6-16(25-13)11-22-10-14-8-15(24-18(14)12-22)9-20-19(23)17-4-3-7-21(17)2/h3-7,14-15,18H,8-12H2,1-2H3,(H,20,23)/t14-,15-,18+/m0/s1
InChIKeyIHSPACYYRROGGH-RLFYNMQTSA-N
MW359.50 g/mol
LogP2.41
Rot. Bonds5

About N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide

N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 124816311) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID124816311
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCc1ccc(CN2C[C@@H]3C[C@@H](CNC(=O)c4cccn4C)O[C@@H]3C2)s1
InChIInChI=1S/C19H25N3O2S/c1-13-5-6-16(25-13)11-22-10-14-8-15(24-18(14)12-22)9-20-19(23)17-4-3-7-21(17)2/h3-7,14-15,18H,8-12H2,1-2H3,(H,20,23)/t14-,15-,18+/m0/s1
InChIKeyIHSPACYYRROGGH-RLFYNMQTSA-N
XLogP2.41
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide with MolForge

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Related Compounds

N-[[(2R,3aR,6aR)-5-[(4-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97379405
N-[[(2R,3aR,6aR)-5-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97415698
1-[(2R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylmethanamine
CID 97379391
N-[[(3R,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 124806474
1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide
CID 97384486
N-[[(3R,3aR,6aR)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124800566
N-[[(2S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]thiophene-3-carboxamide
CID 124813428
N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 58933544
N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 56897452
5-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122125506
[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 133139984
(3aR,6aR)-2-[(5-methylthiophen-2-yl)methyl]-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124818082

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide (CID 124816311) is N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide is Cc1ccc(CN2C[C@@H]3C[C@@H](CNC(=O)c4cccn4C)O[C@@H]3C2)s1.
What is the InChIKey of N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is IHSPACYYRROGGH-RLFYNMQTSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13-5-6-16(25-13)11-22-10-14-8-15(24-18(14)12-22)9-20-19(23)17-4-3-7-21(17)2/h3-7,14-15,18H,8-12H2,1-2H3,(H,20,23)/t14-,15-,18+/m0/s1.
What are the key properties of N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3aS,6aS)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 124816311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).