N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide

C14H13N3O3S2 — CID 121023148

IUPACN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nccnc2-c2ccco2)s1
InChIInChI=1S/C14H13N3O3S2/c1-10-4-5-13(21-10)22(18,19)17-9-11-14(16-7-6-15-11)12-3-2-8-20-12/h2-8,17H,9H2,1H3
InChIKeyCEVWUJXJSDIBBO-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.59
Rot. Bonds5

About N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 121023148) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
PubChem CID121023148
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nccnc2-c2ccco2)s1
InChIInChI=1S/C14H13N3O3S2/c1-10-4-5-13(21-10)22(18,19)17-9-11-14(16-7-6-15-11)12-3-2-8-20-12/h2-8,17H,9H2,1H3
InChIKeyCEVWUJXJSDIBBO-UHFFFAOYSA-N
XLogP2.59
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 121198890
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide
CID 121199016
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121023153
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]morpholine-4-sulfonamide
CID 121199085
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 119105910
5-methyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 110738878
5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 91630517
N-(furan-2-ylmethyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 38254483
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea
CID 121199008
5-methyl-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]thiophene-2-sulfonamide
CID 146080734
N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
N-[(5-chlorofuran-2-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 110732059

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide (CID 121023148) is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCc2nccnc2-c2ccco2)s1.
What is the InChIKey of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is CEVWUJXJSDIBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S2/c1-10-4-5-13(21-10)22(18,19)17-9-11-14(16-7-6-15-11)12-3-2-8-20-12/h2-8,17H,9H2,1H3.
What are the key properties of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide?
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 335.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 121023148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).