N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide

C19H23N3O4S — CID 55837471

IUPACN-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NC(C)c2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C19H23N3O4S/c1-4-18(23)21-16-9-6-8-15(12-16)19(24)20-13(2)14-7-5-10-17(11-14)22-27(3,25)26/h5-13,22H,4H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyIOWWNDSLQFPMPT-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.90
Rot. Bonds7

About N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide

N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide (PubChem CID 55837471) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
PubChem CID55837471
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NC(C)c2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C19H23N3O4S/c1-4-18(23)21-16-9-6-8-15(12-16)19(24)20-13(2)14-7-5-10-17(11-14)22-27(3,25)26/h5-13,22H,4H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyIOWWNDSLQFPMPT-UHFFFAOYSA-N
XLogP2.90
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
CID 55833406
3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657574
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 55702907
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
CID 43016598
N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide
CID 51947344
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(methanesulfonamido)benzamide
CID 55579514
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
N-(3-butan-2-ylphenyl)propanamide
CID 139481795

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide?
The IUPAC name of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide (CID 55837471) is N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide?
The canonical SMILES for N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)NC(C)c2cccc(NS(C)(=O)=O)c2)c1.
What is the InChIKey of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide?
The InChIKey is IOWWNDSLQFPMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-18(23)21-16-9-6-8-15(12-16)19(24)20-13(2)14-7-5-10-17(11-14)22-27(3,25)26/h5-13,22H,4H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide?
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide has a molecular weight of 389.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide is sourced from PubChem (CID 55837471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).