(2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide

C23H31NO5S — CID 162456454

IUPAC(2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide
SMILESC=CC[C@](C)(COC)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C23H31NO5S/c1-6-15-23(2,18-27-3)30(25,26)24(16-19-7-11-21(28-4)12-8-19)17-20-9-13-22(29-5)14-10-20/h6-14H,1,15-18H2,2-5H3/t23-/m1/s1
InChIKeyCTFHFCUAMAXHSR-HSZRJFAPSA-N
MW433.57 g/mol
LogP4.02
Rot. Bonds12

About (2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide

(2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide (PubChem CID 162456454) has the molecular formula C23H31NO5S and a molecular weight of 433.57 g/mol. Its IUPAC name is (2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide.

Molecular Properties

Compound Name(2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide
PubChem CID162456454
Molecular FormulaC23H31NO5S
Molecular Weight433.57 g/mol
Exact Mass433.19
IUPAC Name(2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide
SMILESC=CC[C@](C)(COC)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C23H31NO5S/c1-6-15-23(2,18-27-3)30(25,26)24(16-19-7-11-21(28-4)12-8-19)17-20-9-13-22(29-5)14-10-20/h6-14H,1,15-18H2,2-5H3/t23-/m1/s1
InChIKeyCTFHFCUAMAXHSR-HSZRJFAPSA-N
XLogP4.02
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide?
The IUPAC name of (2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide (CID 162456454) is (2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide.
What is the SMILES notation for (2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide?
The canonical SMILES for (2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide is C=CC[C@](C)(COC)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of (2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide?
The InChIKey is CTFHFCUAMAXHSR-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H31NO5S/c1-6-15-23(2,18-27-3)30(25,26)24(16-19-7-11-21(28-4)12-8-19)17-20-9-13-22(29-5)14-10-20/h6-14H,1,15-18H2,2-5H3/t23-/m1/s1.
What are the key properties of (2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide?
(2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide has a molecular weight of 433.57 g/mol, XLogP of 4.02, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-2-sulfonamide is sourced from PubChem (CID 162456454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).