N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

C23H33N3O5S — CID 34235016

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H33N3O5S/c1-5-26(6-2)17-19-10-8-7-9-18(19)16-24-23(27)13-14-25-32(28,29)20-11-12-21(30-3)22(15-20)31-4/h7-12,15,25H,5-6,13-14,16-17H2,1-4H3,(H,24,27)
InChIKeyFSLWREGSDMZLBA-UHFFFAOYSA-N
MW463.60 g/mol
LogP2.53
Rot. Bonds13

About N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (PubChem CID 34235016) has the molecular formula C23H33N3O5S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
PubChem CID34235016
Molecular FormulaC23H33N3O5S
Molecular Weight463.60 g/mol
Exact Mass463.21
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H33N3O5S/c1-5-26(6-2)17-19-10-8-7-9-18(19)16-24-23(27)13-14-25-32(28,29)20-11-12-21(30-3)22(15-20)31-4/h7-12,15,25H,5-6,13-14,16-17H2,1-4H3,(H,24,27)
InChIKeyFSLWREGSDMZLBA-UHFFFAOYSA-N
XLogP2.53
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179
2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide
CID 9246232
N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 119408095
3-[(4-chlorophenyl)sulfonylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 24548654
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 55408273
N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide
CID 44654174
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide
CID 46473166
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 31640298
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 43834722
N-[(2S)-1-aminopropan-2-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 120509148

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (CID 34235016) is N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is CCN(CC)Cc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is FSLWREGSDMZLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5S/c1-5-26(6-2)17-19-10-8-7-9-18(19)16-24-23(27)13-14-25-32(28,29)20-11-12-21(30-3)22(15-20)31-4/h7-12,15,25H,5-6,13-14,16-17H2,1-4H3,(H,24,27).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 463.60 g/mol, XLogP of 2.53, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 34235016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).