N-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide

C26H31NO6S — CID 10929009

IUPACN-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(C(c2ccccc2)N(CC(OC)OC)S(=O)(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C26H31NO6S/c1-30-23-16-15-22(17-24(23)31-2)26(21-13-9-6-10-14-21)27(18-25(32-3)33-4)34(28,29)19-20-11-7-5-8-12-20/h5-17,25-26H,18-19H2,1-4H3
InChIKeyTYZMSBLUPGNMEO-UHFFFAOYSA-N
MW485.60 g/mol
LogP4.24
Rot. Bonds12

About N-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide

N-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide (PubChem CID 10929009) has the molecular formula C26H31NO6S and a molecular weight of 485.60 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide
PubChem CID10929009
Molecular FormulaC26H31NO6S
Molecular Weight485.60 g/mol
Exact Mass485.19
IUPAC NameN-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(C(c2ccccc2)N(CC(OC)OC)S(=O)(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C26H31NO6S/c1-30-23-16-15-22(17-24(23)31-2)26(21-13-9-6-10-14-21)27(18-25(32-3)33-4)34(28,29)19-20-11-7-5-8-12-20/h5-17,25-26H,18-19H2,1-4H3
InChIKeyTYZMSBLUPGNMEO-UHFFFAOYSA-N
XLogP4.24
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.60
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-1-phenylmethanesulfonamide
CID 110314905
ethyl 2-[benzyl-[(3,4-dimethoxyphenyl)-phenylmethyl]amino]propanoate
CID 134868833
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
ethyl 2-[benzyl-[(3,4-dimethoxyphenyl)-phenylmethyl]amino]acetate
CID 134869017
2-aminoethyl-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]carbamic acid
CID 69394219
N-[1-(3,4-dimethoxyphenyl)-1-hydroxybutan-2-yl]-2-phenylacetamide
CID 134990650
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethyl-3-phenylpropanamide
CID 110629739
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethylbenzenesulfonamide
CID 110291307
N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 6468600
3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
CID 65186149
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide (CID 10929009) is N-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide is COc1ccc(C(c2ccccc2)N(CC(OC)OC)S(=O)(=O)Cc2ccccc2)cc1OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide?
The InChIKey is TYZMSBLUPGNMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO6S/c1-30-23-16-15-22(17-24(23)31-2)26(21-13-9-6-10-14-21)27(18-25(32-3)33-4)34(28,29)19-20-11-7-5-8-12-20/h5-17,25-26H,18-19H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide?
N-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide has a molecular weight of 485.60 g/mol, XLogP of 4.24, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-[(3,4-dimethoxyphenyl)-phenylmethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 10929009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).