(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide

C30H35NO5S — CID 19211725

IUPAC(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
SMILESCCCCCOc1ccc(/C=C/C(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C30H35NO5S/c1-5-7-8-21-36-28-19-13-25(22-29(28)35-4)14-20-30(32)31(26-15-11-24(6-2)12-16-26)37(33,34)27-17-9-23(3)10-18-27/h9-20,22H,5-8,21H2,1-4H3/b20-14+
InChIKeyOKDCGOYZZMDXKF-XSFVSMFZSA-N
MW521.68 g/mol
LogP6.57
Rot. Bonds12

About (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide

(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide (PubChem CID 19211725) has the molecular formula C30H35NO5S and a molecular weight of 521.68 g/mol. Its IUPAC name is (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
PubChem CID19211725
Molecular FormulaC30H35NO5S
Molecular Weight521.68 g/mol
Exact Mass521.22
IUPAC Name(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
SMILESCCCCCOc1ccc(/C=C/C(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C30H35NO5S/c1-5-7-8-21-36-28-19-13-25(22-29(28)35-4)14-20-30(32)31(26-15-11-24(6-2)12-16-26)37(33,34)27-17-9-23(3)10-18-27/h9-20,22H,5-8,21H2,1-4H3/b20-14+
InChIKeyOKDCGOYZZMDXKF-XSFVSMFZSA-N
XLogP6.57
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.68
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(benzenesulfonyl)-N-(4-butylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 19212082
(E)-N-(benzenesulfonyl)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19212038
(E)-3-(3,4-diethoxyphenyl)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212404
(E)-N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 19211737
(E)-N-(2,3-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212013
(E)-N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 19212005
(E)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-3-(4-propoxyphenyl)prop-2-enamide
CID 19212224
(E)-N-(benzenesulfonyl)-3-(3-bromo-4-methoxyphenyl)-N-(4-butylphenyl)prop-2-enamide
CID 19211971
(E)-N-(4-methoxyphenyl)-3-(4-methylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212337
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
(E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide
CID 19212222
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 4168796

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide?
The IUPAC name of (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide (CID 19211725) is (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide?
The canonical SMILES for (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide is CCCCCOc1ccc(/C=C/C(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide?
The InChIKey is OKDCGOYZZMDXKF-XSFVSMFZSA-N. The full InChI is InChI=1S/C30H35NO5S/c1-5-7-8-21-36-28-19-13-25(22-29(28)35-4)14-20-30(32)31(26-15-11-24(6-2)12-16-26)37(33,34)27-17-9-23(3)10-18-27/h9-20,22H,5-8,21H2,1-4H3/b20-14+.
What are the key properties of (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide?
(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide has a molecular weight of 521.68 g/mol, XLogP of 6.57, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide is sourced from PubChem (CID 19211725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).