N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C14H22N2O4S — CID 78883965

IUPACN,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)N(C)C(C)C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C14H22N2O4S/c1-10(2)15(4)14(17)12-9-13(11(3)20-12)21(18,19)16-7-5-6-8-16/h9-10H,5-8H2,1-4H3
InChIKeyJYHAKXBOSMCQNC-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.85
Rot. Bonds4

About N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 78883965) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID78883965
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)N(C)C(C)C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C14H22N2O4S/c1-10(2)15(4)14(17)12-9-13(11(3)20-12)21(18,19)16-7-5-6-8-16/h9-10H,5-8H2,1-4H3
InChIKeyJYHAKXBOSMCQNC-UHFFFAOYSA-N
XLogP1.85
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
CID 119954814
N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride
CID 119441800
2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
CID 119194844
(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55752514
N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 60560153
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 119606159
N-(1,3-benzothiazol-2-yl)-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55759058
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 51955252
5-methyl-4-(1,4-thiazepan-4-ylsulfonyl)furan-2-carboxylic acid
CID 62805219
5-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55761698
2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid
CID 119223538
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94034180

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 78883965) is N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1oc(C(=O)N(C)C(C)C)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is JYHAKXBOSMCQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(2)15(4)14(17)12-9-13(11(3)20-12)21(18,19)16-7-5-6-8-16/h9-10H,5-8H2,1-4H3.
What are the key properties of N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 78883965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).