N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide

C18H22N2O4S — CID 55614572

IUPACN-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(Cc1ccco1)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H22N2O4S/c1-14(12-16-7-5-11-24-16)19-18(21)15-6-4-8-17(13-15)25(22,23)20-9-2-3-10-20/h4-8,11,13-14H,2-3,9-10,12H2,1H3,(H,19,21)
InChIKeyDAMYSYSCLXHROD-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.43
Rot. Bonds6

About N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55614572) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55614572
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(Cc1ccco1)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H22N2O4S/c1-14(12-16-7-5-11-24-16)19-18(21)15-6-4-8-17(13-15)25(22,23)20-9-2-3-10-20/h4-8,11,13-14H,2-3,9-10,12H2,1H3,(H,19,21)
InChIKeyDAMYSYSCLXHROD-UHFFFAOYSA-N
XLogP2.43
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349120
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
3-(azepan-1-ylsulfonyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 132673817
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55332159
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9481709
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9301531
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7936606
N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 132664657

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 55614572) is N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide is CC(Cc1ccco1)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is DAMYSYSCLXHROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14(12-16-7-5-11-24-16)19-18(21)15-6-4-8-17(13-15)25(22,23)20-9-2-3-10-20/h4-8,11,13-14H,2-3,9-10,12H2,1H3,(H,19,21).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55614572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).