N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C15H20N4O3S — CID 120945905

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCn1ccnc1SCc1ccc(C(=O)NCC2CNCC2O)o1
InChIInChI=1S/C15H20N4O3S/c1-19-5-4-17-15(19)23-9-11-2-3-13(22-11)14(21)18-7-10-6-16-8-12(10)20/h2-5,10,12,16,20H,6-9H2,1H3,(H,18,21)
InChIKeyINZYHZWPASAFBP-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.62
Rot. Bonds6

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 120945905) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
PubChem CID120945905
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
SMILESCn1ccnc1SCc1ccc(C(=O)NCC2CNCC2O)o1
InChIInChI=1S/C15H20N4O3S/c1-19-5-4-17-15(19)23-9-11-2-3-13(22-11)14(21)18-7-10-6-16-8-12(10)20/h2-5,10,12,16,20H,6-9H2,1H3,(H,18,21)
InChIKeyINZYHZWPASAFBP-UHFFFAOYSA-N
XLogP0.62
TPSA92.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888106
N-[(2R)-2-(ethylamino)propyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
CID 120654118
N-(3-methoxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060055
N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888124
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60515907
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 51087547
N-[2-(aminomethyl)cyclopentyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide;dihydrochloride
CID 119601422
N-[(6-methoxy-3-pyridinyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060085
N-(3,5-dimethylphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440363
N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78861985
N-[[4-(difluoromethoxy)phenyl]methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35412214
N-(1-benzofuran-2-ylmethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 87018610

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 120945905) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is Cn1ccnc1SCc1ccc(C(=O)NCC2CNCC2O)o1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is INZYHZWPASAFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-19-5-4-17-15(19)23-9-11-2-3-13(22-11)14(21)18-7-10-6-16-8-12(10)20/h2-5,10,12,16,20H,6-9H2,1H3,(H,18,21).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 120945905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).