4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

C26H29NO3S — CID 42696245

IUPAC4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
SMILESCOc1ccc(N(C/C=C/c2ccccc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H29NO3S/c1-26(2,3)22-12-18-25(19-13-22)31(28,29)27(23-14-16-24(30-4)17-15-23)20-8-11-21-9-6-5-7-10-21/h5-19H,20H2,1-4H3/b11-8+
InChIKeyAEZGYBAWBOPFFP-DHZHZOJOSA-N
MW435.59 g/mol
LogP5.90
Rot. Bonds7

About 4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide (PubChem CID 42696245) has the molecular formula C26H29NO3S and a molecular weight of 435.59 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
PubChem CID42696245
Molecular FormulaC26H29NO3S
Molecular Weight435.59 g/mol
Exact Mass435.19
IUPAC Name4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
SMILESCOc1ccc(N(C/C=C/c2ccccc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H29NO3S/c1-26(2,3)22-12-18-25(19-13-22)31(28,29)27(23-14-16-24(30-4)17-15-23)20-8-11-21-9-6-5-7-10-21/h5-19H,20H2,1-4H3/b11-8+
InChIKeyAEZGYBAWBOPFFP-DHZHZOJOSA-N
XLogP5.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210
4-methoxy-N-[(E)-3-phenylprop-2-enyl]-N-propylaniline
CID 154621294
N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4793747
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide
CID 169040724
N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 94818649
3-(N-(4-tert-butylphenyl)sulfonylanilino)propanamide
CID 38893159
4-tert-butyl-N-[(4-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 162671390
1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene
CID 74601306
N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
N,2-bis(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 42696235
N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline
CID 164888002

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide (CID 42696245) is 4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide is COc1ccc(N(C/C=C/c2ccccc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
The InChIKey is AEZGYBAWBOPFFP-DHZHZOJOSA-N. The full InChI is InChI=1S/C26H29NO3S/c1-26(2,3)22-12-18-25(19-13-22)31(28,29)27(23-14-16-24(30-4)17-15-23)20-8-11-21-9-6-5-7-10-21/h5-19H,20H2,1-4H3/b11-8+.
What are the key properties of 4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide?
4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide has a molecular weight of 435.59 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 42696245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).