(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide

C21H27NO4S — CID 118903716

IUPAC(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
SMILESC=CC[C@H](C)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C21H27NO4S/c1-5-6-17(2)27(23,24)22(15-18-7-11-20(25-3)12-8-18)16-19-9-13-21(26-4)14-10-19/h5,7-14,17H,1,6,15-16H2,2-4H3/t17-/m0/s1
InChIKeyWGOXONCDANBNEV-KRWDZBQOSA-N
MW389.52 g/mol
LogP4.00
Rot. Bonds10

About (2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide

(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide (PubChem CID 118903716) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is (2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide.

Molecular Properties

Compound Name(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
PubChem CID118903716
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Name(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
SMILESC=CC[C@H](C)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C21H27NO4S/c1-5-6-17(2)27(23,24)22(15-18-7-11-20(25-3)12-8-18)16-19-9-13-21(26-4)14-10-19/h5,7-14,17H,1,6,15-16H2,2-4H3/t17-/m0/s1
InChIKeyWGOXONCDANBNEV-KRWDZBQOSA-N
XLogP4.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfonamide
CID 118910363
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
(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
(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
(2R,3S)-1-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]-3-methylhex-5-ene-2-sulfonamide
CID 118903556
methyl (2R)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]sulfamoyl]pent-4-enoate;methyl (2S)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]sulfamoyl]pent-4-enoate
CID 158126674
(2R,3R)-1-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]-3-methylhex-5-ene-2-sulfonamide
CID 118903663
(2S)-1-cyclobutyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfonamide
CID 118929228
(4S,5S)-9,9-dihydroxy-N,N-bis[(4-methoxyphenyl)methyl]-4-methylnon-1-ene-5-sulfonamide
CID 166665248
propan-2-yl (3S,4R)-3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methylhept-6-enoate
CID 130367530
N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-5-oxopentane-2-sulfonamide
CID 170936388
methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate
CID 145359334

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide?
The IUPAC name of (2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide (CID 118903716) is (2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide.
What is the SMILES notation for (2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide?
The canonical SMILES for (2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide is C=CC[C@H](C)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of (2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide?
The InChIKey is WGOXONCDANBNEV-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-5-6-17(2)27(23,24)22(15-18-7-11-20(25-3)12-8-18)16-19-9-13-21(26-4)14-10-19/h5,7-14,17H,1,6,15-16H2,2-4H3/t17-/m0/s1.
What are the key properties of (2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide?
(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide has a molecular weight of 389.52 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide is sourced from PubChem (CID 118903716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).