1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide

C16H18N4O2S2 — CID 121177976

IUPAC1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2cccnc2-c2ccsc2)nc1C
InChIInChI=1S/C16H18N4O2S2/c1-3-20-10-15(19-12(20)2)24(21,22)18-9-13-5-4-7-17-16(13)14-6-8-23-11-14/h4-8,10-11,18H,3,9H2,1-2H3
InChIKeyDCUGMSDOGFDFJK-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.81
Rot. Bonds6

About 1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide

1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide (PubChem CID 121177976) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
PubChem CID121177976
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC Name1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2cccnc2-c2ccsc2)nc1C
InChIInChI=1S/C16H18N4O2S2/c1-3-20-10-15(19-12(20)2)24(21,22)18-9-13-5-4-7-17-16(13)14-6-8-23-11-14/h4-8,10-11,18H,3,9H2,1-2H3
InChIKeyDCUGMSDOGFDFJK-UHFFFAOYSA-N
XLogP2.81
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
CID 121177877
4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177942
5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177917
1-ethyl-7-methyl-4-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 121177750
1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide
CID 122275647
2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177958
3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide
CID 121177946
2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide
CID 121177892
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 122354460
1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
CID 121177965
1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
CID 107232092
3-[(4-tert-butylphenyl)sulfonylamino]-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 121177686

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide (CID 121177976) is 1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2cccnc2-c2ccsc2)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide?
The InChIKey is DCUGMSDOGFDFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-3-20-10-15(19-12(20)2)24(21,22)18-9-13-5-4-7-17-16(13)14-6-8-23-11-14/h4-8,10-11,18H,3,9H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 121177976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).