2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide

C19H20N2O3S2 — CID 87032970

IUPAC2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(OCc3ccccn3)cc2)c(C)s1
InChIInChI=1S/C19H20N2O3S2/c1-14-11-19(15(2)25-14)26(22,23)21-12-16-6-8-18(9-7-16)24-13-17-5-3-4-10-20-17/h3-11,21H,12-13H2,1-2H3
InChIKeySHVNPOVGNIRBLQ-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.82
Rot. Bonds7

About 2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide

2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide (PubChem CID 87032970) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide
PubChem CID87032970
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(OCc3ccccn3)cc2)c(C)s1
InChIInChI=1S/C19H20N2O3S2/c1-14-11-19(15(2)25-14)26(22,23)21-12-16-6-8-18(9-7-16)24-13-17-5-3-4-10-20-17/h3-11,21H,12-13H2,1-2H3
InChIKeySHVNPOVGNIRBLQ-UHFFFAOYSA-N
XLogP3.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 87032975
2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 60539644
N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide
CID 32684135
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
CID 47064950
2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide
CID 124514744
2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide
CID 75521882
5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 28717822
N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 64531136
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 105357708
2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
CID 86839289
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 71996721

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide (CID 87032970) is 2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCc2ccc(OCc3ccccn3)cc2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide?
The InChIKey is SHVNPOVGNIRBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-14-11-19(15(2)25-14)26(22,23)21-12-16-6-8-18(9-7-16)24-13-17-5-3-4-10-20-17/h3-11,21H,12-13H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide has a molecular weight of 388.51 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 87032970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).