5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide

C17H24N4O2S — CID 119530421

IUPAC5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccc(CSc2nccn2C)o1)C1CCNC1
InChIInChI=1S/C17H24N4O2S/c1-3-9-21(13-6-7-18-11-13)16(22)15-5-4-14(23-15)12-24-17-19-8-10-20(17)2/h4-5,8,10,13,18H,3,6-7,9,11-12H2,1-2H3
InChIKeyUZMXKHCDQMEUQI-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.52
Rot. Bonds7

About 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide

5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide (PubChem CID 119530421) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide
PubChem CID119530421
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccc(CSc2nccn2C)o1)C1CCNC1
InChIInChI=1S/C17H24N4O2S/c1-3-9-21(13-6-7-18-11-13)16(22)15-5-4-14(23-15)12-24-17-19-8-10-20(17)2/h4-5,8,10,13,18H,3,6-7,9,11-12H2,1-2H3
InChIKeyUZMXKHCDQMEUQI-UHFFFAOYSA-N
XLogP2.52
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 119823656
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-prop-2-ynyl-N-(thietan-3-yl)furan-2-carboxamide
CID 166254984
2-[[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-propan-2-ylamino]acetic acid
CID 120580844
5-methyl-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 60805408
N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide
CID 52714765
N-[(2R)-2-(ethylamino)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
CID 120654118
N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 120649588
N-(azetidin-3-yl)-5-chloro-N-propylfuran-2-carboxamide
CID 66183740
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60555051
N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
CID 119601422
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60515907
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide?
The IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide (CID 119530421) is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide is CCCN(C(=O)c1ccc(CSc2nccn2C)o1)C1CCNC1.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide?
The InChIKey is UZMXKHCDQMEUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-9-21(13-6-7-18-11-13)16(22)15-5-4-14(23-15)12-24-17-19-8-10-20(17)2/h4-5,8,10,13,18H,3,6-7,9,11-12H2,1-2H3.
What are the key properties of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide?
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-propyl-N-pyrrolidin-3-ylfuran-2-carboxamide is sourced from PubChem (CID 119530421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).