3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide

C18H15N3O4S2 — CID 121177946

IUPAC3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide
SMILESCn1c(=O)oc2ccc(S(=O)(=O)NCc3cccnc3-c3ccsc3)cc21
InChIInChI=1S/C18H15N3O4S2/c1-21-15-9-14(4-5-16(15)25-18(21)22)27(23,24)20-10-12-3-2-7-19-17(12)13-6-8-26-11-13/h2-9,11,20H,10H2,1H3
InChIKeyUYPDPXFPBKJHHN-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.73
Rot. Bonds5

About 3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide

3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide (PubChem CID 121177946) has the molecular formula C18H15N3O4S2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide
PubChem CID121177946
Molecular FormulaC18H15N3O4S2
Molecular Weight401.47 g/mol
Exact Mass401.05
IUPAC Name3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide
SMILESCn1c(=O)oc2ccc(S(=O)(=O)NCc3cccnc3-c3ccsc3)cc21
InChIInChI=1S/C18H15N3O4S2/c1-21-15-9-14(4-5-16(15)25-18(21)22)27(23,24)20-10-12-3-2-7-19-17(12)13-6-8-26-11-13/h2-9,11,20H,10H2,1H3
InChIKeyUYPDPXFPBKJHHN-UHFFFAOYSA-N
XLogP2.73
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177942
N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760792
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
CID 121177877
2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177958
5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177917
3-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 121020128
1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
CID 121177976
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 124878466
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 119101141
3,4-dimethyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 122277014
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025057
3-methyl-2-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide
CID 146025070

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of 3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide (CID 121177946) is 3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for 3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide is Cn1c(=O)oc2ccc(S(=O)(=O)NCc3cccnc3-c3ccsc3)cc21.
What is the InChIKey of 3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide?
The InChIKey is UYPDPXFPBKJHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S2/c1-21-15-9-14(4-5-16(15)25-18(21)22)27(23,24)20-10-12-3-2-7-19-17(12)13-6-8-26-11-13/h2-9,11,20H,10H2,1H3.
What are the key properties of 3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide?
3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide has a molecular weight of 401.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 121177946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).