4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide

C24H21N3O2S2 — CID 134959523

IUPAC4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/C=C/Cc2ccsc2-c2ncccn2)cc1
InChIInChI=1S/C24H21N3O2S2/c1-18-10-12-21(13-11-18)31(28,29)27-22-9-3-2-6-19(22)7-4-8-20-14-17-30-23(20)24-25-15-5-16-26-24/h2-7,9-17,27H,8H2,1H3/b7-4+
InChIKeyHDEXXOIPTSWNGX-QPJJXVBHSA-N
MW447.59 g/mol
LogP5.57
Rot. Bonds7

About 4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide

4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide (PubChem CID 134959523) has the molecular formula C24H21N3O2S2 and a molecular weight of 447.59 g/mol. Its IUPAC name is 4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide
PubChem CID134959523
Molecular FormulaC24H21N3O2S2
Molecular Weight447.59 g/mol
Exact Mass447.11
IUPAC Name4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/C=C/Cc2ccsc2-c2ncccn2)cc1
InChIInChI=1S/C24H21N3O2S2/c1-18-10-12-21(13-11-18)31(28,29)27-22-9-3-2-6-19(22)7-4-8-20-14-17-30-23(20)24-25-15-5-16-26-24/h2-7,9-17,27H,8H2,1H3/b7-4+
InChIKeyHDEXXOIPTSWNGX-QPJJXVBHSA-N
XLogP5.57
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.59
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-(2-pyridin-4-ylethenyl)phenyl]benzenesulfonamide
CID 54397689
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-[2-[4-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]butyliminomethyl]phenyl]benzenesulfonamide
CID 101241244
4-methyl-N-[2-[[4-[[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]methyl]phenyl]methyliminomethyl]phenyl]benzenesulfonamide
CID 102386798
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115778031
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
4-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332736
4-methyl-N-[2-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]propyliminomethyl]phenyl]benzenesulfonamide
CID 19589557
N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide
CID 11718265
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide (CID 134959523) is 4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2/C=C/Cc2ccsc2-c2ncccn2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide?
The InChIKey is HDEXXOIPTSWNGX-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H21N3O2S2/c1-18-10-12-21(13-11-18)31(28,29)27-22-9-3-2-6-19(22)7-4-8-20-14-17-30-23(20)24-25-15-5-16-26-24/h2-7,9-17,27H,8H2,1H3/b7-4+.
What are the key properties of 4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide?
4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide has a molecular weight of 447.59 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(E)-3-(2-pyrimidin-2-ylthiophen-3-yl)prop-1-enyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 134959523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).