N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C22H30N2O4S — CID 31590226

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(C)cc1CCNC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H30N2O4S/c1-15-6-7-20(28-5)19(14-15)8-10-23-21(25)9-11-24-29(26,27)22-17(3)12-16(2)13-18(22)4/h6-7,12-14,24H,8-11H2,1-5H3,(H,23,25)
InChIKeyMFTMCEMOQIGLHR-UHFFFAOYSA-N
MW418.56 g/mol
LogP2.96
Rot. Bonds9

About N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 31590226) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID31590226
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(C)cc1CCNC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H30N2O4S/c1-15-6-7-20(28-5)19(14-15)8-10-23-21(25)9-11-24-29(26,27)22-17(3)12-16(2)13-18(22)4/h6-7,12-14,24H,8-11H2,1-5H3,(H,23,25)
InChIKeyMFTMCEMOQIGLHR-UHFFFAOYSA-N
XLogP2.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31282077
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
N-(3-chloro-4-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26822921
N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 35515241
N-(2,4-dimethoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 27253650
3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 31590171
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624
3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 31115017
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 26457203

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 31590226) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is COc1ccc(C)cc1CCNC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is MFTMCEMOQIGLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-15-6-7-20(28-5)19(14-15)8-10-23-21(25)9-11-24-29(26,27)22-17(3)12-16(2)13-18(22)4/h6-7,12-14,24H,8-11H2,1-5H3,(H,23,25).
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 418.56 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 31590226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).