(E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide

C24H24N4O5S — CID 19177177

IUPAC(E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1
InChIInChI=1S/C24H24N4O5S/c1-4-13-32-21-9-5-18(6-10-21)14-19(15-25)23(29)26-20-7-11-22(12-8-20)34(30,31)28-24-16(2)17(3)27-33-24/h5-12,14,28H,4,13H2,1-3H3,(H,26,29)/b19-14+
InChIKeyLSRVXVXJXBRZBO-XMHGGMMESA-N
MW480.55 g/mol
LogP4.43
Rot. Bonds9

About (E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide

(E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide (PubChem CID 19177177) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is (E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide
PubChem CID19177177
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Name(E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1
InChIInChI=1S/C24H24N4O5S/c1-4-13-32-21-9-5-18(6-10-21)14-19(15-25)23(29)26-20-7-11-22(12-8-20)34(30,31)28-24-16(2)17(3)27-33-24/h5-12,14,28H,4,13H2,1-3H3,(H,26,29)/b19-14+
InChIKeyLSRVXVXJXBRZBO-XMHGGMMESA-N
XLogP4.43
TPSA134.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide
CID 108795812
(E)-2-cyano-N-(4-propan-2-yloxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 19177133
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide
CID 7911825
4-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 7970184
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 659894
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide
CID 4194050
(E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide
CID 29424540
2-methylpropyl 4-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]benzoate
CID 2792669
(E)-2-cyano-3-[4-(2-oxononoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 148636541
ethyl N-[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]carbamate
CID 102425102
N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide
CID 3839251

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide (CID 19177177) is (E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1.
What is the InChIKey of (E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is LSRVXVXJXBRZBO-XMHGGMMESA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-4-13-32-21-9-5-18(6-10-21)14-19(15-25)23(29)26-20-7-11-22(12-8-20)34(30,31)28-24-16(2)17(3)27-33-24/h5-12,14,28H,4,13H2,1-3H3,(H,26,29)/b19-14+.
What are the key properties of (E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide?
(E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 480.55 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19177177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).