(2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide

C19H24N2O4S2 — CID 144758762

IUPAC(2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide
SMILESC/C=C\C(=C/CC)S(=O)(=O)N(Cc1ccc(OC)cc1OC)c1nccs1
InChIInChI=1S/C19H24N2O4S2/c1-5-7-17(8-6-2)27(22,23)21(19-20-11-12-26-19)14-15-9-10-16(24-3)13-18(15)25-4/h5,7-13H,6,14H2,1-4H3/b7-5-,17-8+
InChIKeyYDJAJBSMQMNAMB-DJZAMEBTSA-N
MW408.55 g/mol
LogP4.37
Rot. Bonds9

About (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide

(2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide (PubChem CID 144758762) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide.

Molecular Properties

Compound Name(2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide
PubChem CID144758762
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Name(2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide
SMILESC/C=C\C(=C/CC)S(=O)(=O)N(Cc1ccc(OC)cc1OC)c1nccs1
InChIInChI=1S/C19H24N2O4S2/c1-5-7-17(8-6-2)27(22,23)21(19-20-11-12-26-19)14-15-9-10-16(24-3)13-18(15)25-4/h5,7-13H,6,14H2,1-4H3/b7-5-,17-8+
InChIKeyYDJAJBSMQMNAMB-DJZAMEBTSA-N
XLogP4.37
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4,5-difluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 118121088
4-[(2,4-dimethoxyphenyl)methyl-(1,3-thiazol-2-yl)sulfamoyl]-3-fluorobenzoic acid
CID 68535595
cis-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 96523719
N-[(2,4-dimethoxyphenyl)methyl]-4-(methylamino)-N-(1,3-thiazol-2-yl)butanamide
CID 119809960
4-[[(6S)-6-aminocyclohex-3-en-1-yl]amino]-5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134429808
4-amino-N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120593724
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-(1-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134586604
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 140862797
2,4-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 110723420
5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-[(2S)-2-(dimethylamino)cyclohexyl]oxy-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134429706
4-[[(R)-amino-(2-chlorophenyl)methyl]amino]-5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134602327
[6-[(2,4-dimethoxyphenyl)methyl-(1,3-thiazol-2-yl)sulfamoyl]-1-(4-fluoro-2-methoxyphenyl)isoquinolin-4-yl] trifluoromethanesulfonate
CID 86687674

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide?
The IUPAC name of (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide (CID 144758762) is (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide.
What is the SMILES notation for (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide?
The canonical SMILES for (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide is C/C=C\C(=C/CC)S(=O)(=O)N(Cc1ccc(OC)cc1OC)c1nccs1.
What is the InChIKey of (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide?
The InChIKey is YDJAJBSMQMNAMB-DJZAMEBTSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-5-7-17(8-6-2)27(22,23)21(19-20-11-12-26-19)14-15-9-10-16(24-3)13-18(15)25-4/h5,7-13H,6,14H2,1-4H3/b7-5-,17-8+.
What are the key properties of (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide?
(2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide has a molecular weight of 408.55 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)hepta-2,4-diene-4-sulfonamide is sourced from PubChem (CID 144758762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).