N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide

C21H27NO6S — CID 175393000

IUPACN,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)C2CC2)c(OC)c1
InChIInChI=1S/C21H27NO6S/c1-25-17-7-5-15(20(11-17)27-3)13-22(29(23,24)19-9-10-19)14-16-6-8-18(26-2)12-21(16)28-4/h5-8,11-12,19H,9-10,13-14H2,1-4H3
InChIKeyUJSJCFKXXBMGAW-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.22
Rot. Bonds10

About N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide

N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide (PubChem CID 175393000) has the molecular formula C21H27NO6S and a molecular weight of 421.52 g/mol. Its IUPAC name is N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide
PubChem CID175393000
Molecular FormulaC21H27NO6S
Molecular Weight421.52 g/mol
Exact Mass421.16
IUPAC NameN,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)C2CC2)c(OC)c1
InChIInChI=1S/C21H27NO6S/c1-25-17-7-5-15(20(11-17)27-3)13-22(29(23,24)19-9-10-19)14-16-6-8-18(26-2)12-21(16)28-4/h5-8,11-12,19H,9-10,13-14H2,1-4H3
InChIKeyUJSJCFKXXBMGAW-UHFFFAOYSA-N
XLogP3.22
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate
CID 66574429
(4-nitrophenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate
CID 66574321
4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121517
N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838290
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetamide
CID 34960365
[3-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-6-fluoro-2-methylphenyl]boronic acid
CID 176706482
N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-oxopropane-1-sulfonamide;(3S)-3-cyclopentyl-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-hydroxypropane-1-sulfonamide;(3R)-3-cyclopentyl-N,N-bis[(2,4-dimethoxyphenyl)methyl]-3-hydroxypropane-1-sulfonamide
CID 161444403
(4-bromophenyl) N-benzyl-N-[(2,4-dimethoxyphenyl)methyl]sulfamate
CID 66573570
N-[(2,4-dimethoxyphenyl)methyl]-N-(S-methyl-N-prop-2-enylsulfonimidoyl)prop-2-en-1-amine
CID 125473512
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide?
The IUPAC name of N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide (CID 175393000) is N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide.
What is the SMILES notation for N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide?
The canonical SMILES for N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)C2CC2)c(OC)c1.
What is the InChIKey of N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide?
The InChIKey is UJSJCFKXXBMGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6S/c1-25-17-7-5-15(20(11-17)27-3)13-22(29(23,24)19-9-10-19)14-16-6-8-18(26-2)12-21(16)28-4/h5-8,11-12,19H,9-10,13-14H2,1-4H3.
What are the key properties of N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide?
N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 3.22, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide is sourced from PubChem (CID 175393000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).