N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide

C20H30N2O4S — CID 60529997

IUPACN-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1ccc(CN(CCN(C)C)S(=O)(=O)c2ccc(OC(C)C)c(C)c2)o1
InChIInChI=1S/C20H30N2O4S/c1-15(2)25-20-10-9-19(13-16(20)3)27(23,24)22(12-11-21(5)6)14-18-8-7-17(4)26-18/h7-10,13,15H,11-12,14H2,1-6H3
InChIKeyJJNNSLMFBDPSDR-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.44
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide

N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 60529997) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID60529997
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1ccc(CN(CCN(C)C)S(=O)(=O)c2ccc(OC(C)C)c(C)c2)o1
InChIInChI=1S/C20H30N2O4S/c1-15(2)25-20-10-9-19(13-16(20)3)27(23,24)22(12-11-21(5)6)14-18-8-7-17(4)26-18/h7-10,13,15H,11-12,14H2,1-6H3
InChIKeyJJNNSLMFBDPSDR-UHFFFAOYSA-N
XLogP3.44
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 54879645
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]naphthalene-2-sulfonamide
CID 42773342
N,N-dimethyl-2-[methyl-(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 39622713
4-methoxy-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 3552331
N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 66185704
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 39631584
3-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]propane-1-sulfonamide
CID 60959199
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 39623415
N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide
CID 86825288
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-propan-2-ylamino]acetate
CID 55854442
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 39636565

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide (CID 60529997) is N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide is Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2ccc(OC(C)C)c(C)c2)o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is JJNNSLMFBDPSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-15(2)25-20-10-9-19(13-16(20)3)27(23,24)22(12-11-21(5)6)14-18-8-7-17(4)26-18/h7-10,13,15H,11-12,14H2,1-6H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 394.54 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 60529997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).