N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide

C22H29NO3S — CID 137398530

IUPACN,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide
SMILESC=CCC(C)CS(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C22H29NO3S/c1-5-6-18(2)17-27(24)23(15-19-7-11-21(25-3)12-8-19)16-20-9-13-22(26-4)14-10-20/h5,7-14,18H,1,6,15-17H2,2-4H3
InChIKeyPPNKICRXAUGASN-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.58
Rot. Bonds11

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

N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide (PubChem CID 137398530) has the molecular formula C22H29NO3S and a molecular weight of 387.55 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide
PubChem CID137398530
Molecular FormulaC22H29NO3S
Molecular Weight387.55 g/mol
Exact Mass387.19
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide
SMILESC=CCC(C)CS(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C22H29NO3S/c1-5-6-18(2)17-27(24)23(15-19-7-11-21(25-3)12-8-19)16-20-9-13-22(26-4)14-10-20/h5,7-14,18H,1,6,15-17H2,2-4H3
InChIKeyPPNKICRXAUGASN-UHFFFAOYSA-N
XLogP4.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[(4-methoxyphenyl)methyl]-4-methylhept-6-ene-3-sulfinamide
CID 137398696
(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
CID 118903716
(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfonamide
CID 118910363
N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-4-sulfinamide
CID 142587965
(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
CID 130367202
(3R,4S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-4-methylhept-6-ene-3-sulfonamide;(3S,4S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-4-methylhept-6-ene-3-sulfonamide
CID 158176703
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550
N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine
CID 138519029
(2R,3S)-1-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]-3-methylhex-5-ene-2-sulfonamide
CID 118903556
(2R,3R)-1-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]-3-methylhex-5-ene-2-sulfonamide
CID 118903663
(2R)-1-methoxy-N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]pent-4-ene-2-sulfonamide;(2S)-1-methoxy-N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]pent-4-ene-2-sulfonamide
CID 159970281
(2S)-1-cyclobutyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfonamide
CID 118929228

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide (CID 137398530) is N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide is C=CCC(C)CS(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide?
The InChIKey is PPNKICRXAUGASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3S/c1-5-6-18(2)17-27(24)23(15-19-7-11-21(25-3)12-8-19)16-20-9-13-22(26-4)14-10-20/h5,7-14,18H,1,6,15-17H2,2-4H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide?
N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide has a molecular weight of 387.55 g/mol, XLogP of 4.58, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide is sourced from PubChem (CID 137398530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).