N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide

C21H28N2O4S — CID 55717538

IUPACN-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NC(C)c2cccc(OC(C)C)c2)c1
InChIInChI=1S/C21H28N2O4S/c1-5-12-28(25,26)23-19-10-6-9-18(13-19)21(24)22-16(4)17-8-7-11-20(14-17)27-15(2)3/h6-11,13-16,23H,5,12H2,1-4H3,(H,22,24)
InChIKeyFBCBWPXCLQOZRJ-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.12
Rot. Bonds9

About N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide

N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide (PubChem CID 55717538) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide
PubChem CID55717538
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NC(C)c2cccc(OC(C)C)c2)c1
InChIInChI=1S/C21H28N2O4S/c1-5-12-28(25,26)23-19-10-6-9-18(13-19)21(24)22-16(4)17-8-7-11-20(14-17)27-15(2)3/h6-11,13-16,23H,5,12H2,1-4H3,(H,22,24)
InChIKeyFBCBWPXCLQOZRJ-UHFFFAOYSA-N
XLogP4.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
N-[phenyl(pyridin-2-yl)methyl]-3-(propylsulfonylamino)benzamide
CID 46554430
4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55713773
N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide
CID 36655501
3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide
CID 47078326
5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide
CID 78949901
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
(E)-2-[[3-(propylsulfonylamino)benzoyl]amino]hex-4-enoic acid
CID 120692413
5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 68960592
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide (CID 55717538) is N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)NC(C)c2cccc(OC(C)C)c2)c1.
What is the InChIKey of N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide?
The InChIKey is FBCBWPXCLQOZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-12-28(25,26)23-19-10-6-9-18(13-19)21(24)22-16(4)17-8-7-11-20(14-17)27-15(2)3/h6-11,13-16,23H,5,12H2,1-4H3,(H,22,24).
What are the key properties of N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide?
N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide has a molecular weight of 404.53 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 55717538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).