5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide

C18H22N2O4S — CID 91925127

IUPAC5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2c(c1C(=O)N(C)C)CN(S(=O)(=O)Cc1ccccc1)CC2
InChIInChI=1S/C18H22N2O4S/c1-13-17(18(21)19(2)3)15-11-20(10-9-16(15)24-13)25(22,23)12-14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3
InChIKeyRAYBNRQXRIZXBI-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.18
Rot. Bonds4

About 5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide

5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (PubChem CID 91925127) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
PubChem CID91925127
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCc1oc2c(c1C(=O)N(C)C)CN(S(=O)(=O)Cc1ccccc1)CC2
InChIInChI=1S/C18H22N2O4S/c1-13-17(18(21)19(2)3)15-11-20(10-9-16(15)24-13)25(22,23)12-14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3
InChIKeyRAYBNRQXRIZXBI-UHFFFAOYSA-N
XLogP2.18
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (CID 91925127) is 5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is Cc1oc2c(c1C(=O)N(C)C)CN(S(=O)(=O)Cc1ccccc1)CC2.
What is the InChIKey of 5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is RAYBNRQXRIZXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-17(18(21)19(2)3)15-11-20(10-9-16(15)24-13)25(22,23)12-14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3.
What are the key properties of 5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfonyl-N,N,2-trimethyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 91925127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).