N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide

C23H31NO5S — CID 20968374

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
SMILESCCOc1ccc(CCNC(=O)CCS(=O)(=O)Cc2ccccc2C)cc1OCC
InChIInChI=1S/C23H31NO5S/c1-4-28-21-11-10-19(16-22(21)29-5-2)12-14-24-23(25)13-15-30(26,27)17-20-9-7-6-8-18(20)3/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,24,25)
InChIKeyLAYUJZQUIKRFBM-UHFFFAOYSA-N
MW433.57 g/mol
LogP3.46
Rot. Bonds12

About N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide

N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide (PubChem CID 20968374) has the molecular formula C23H31NO5S and a molecular weight of 433.57 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
PubChem CID20968374
Molecular FormulaC23H31NO5S
Molecular Weight433.57 g/mol
Exact Mass433.19
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
SMILESCCOc1ccc(CCNC(=O)CCS(=O)(=O)Cc2ccccc2C)cc1OCC
InChIInChI=1S/C23H31NO5S/c1-4-28-21-11-10-19(16-22(21)29-5-2)12-14-24-23(25)13-15-30(26,27)17-20-9-7-6-8-18(20)3/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,24,25)
InChIKeyLAYUJZQUIKRFBM-UHFFFAOYSA-N
XLogP3.46
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 3241840
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 26120183
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8717630
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide
CID 43908360
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 25367363
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8694826
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 24536757

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide (CID 20968374) is N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide is CCOc1ccc(CCNC(=O)CCS(=O)(=O)Cc2ccccc2C)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is LAYUJZQUIKRFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5S/c1-4-28-21-11-10-19(16-22(21)29-5-2)12-14-24-23(25)13-15-30(26,27)17-20-9-7-6-8-18(20)3/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,24,25).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 433.57 g/mol, XLogP of 3.46, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 20968374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).