2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

C21H23N3O4S — CID 8918828

IUPAC2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESC[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccco1
InChIInChI=1S/C21H23N3O4S/c1-16(20-12-7-13-28-20)22-15-21(25)23-17-8-6-11-19(14-17)29(26,27)24(2)18-9-4-3-5-10-18/h3-14,16,22H,15H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyMECIDXNFJCOYRZ-INIZCTEOSA-N
MW413.50 g/mol
LogP3.39
Rot. Bonds8

About 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (PubChem CID 8918828) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
PubChem CID8918828
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESC[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccco1
InChIInChI=1S/C21H23N3O4S/c1-16(20-12-7-13-28-20)22-15-21(25)23-17-8-6-11-19(14-17)29(26,27)24(2)18-9-4-3-5-10-18/h3-14,16,22H,15H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyMECIDXNFJCOYRZ-INIZCTEOSA-N
XLogP3.39
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
2-chloro-N-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide
CID 17455691
2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51171745
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide
CID 17392586
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
CID 7851108
N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917918
N-[(1S)-1-(furan-2-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 9481851
2-(3-methyl-2-oxo-1-pyridinyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 56510143
N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918206
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9335719
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
N-(3-fluoro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919228

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (CID 8918828) is 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccco1.
What is the InChIKey of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is MECIDXNFJCOYRZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-16(20-12-7-13-28-20)22-15-21(25)23-17-8-6-11-19(14-17)29(26,27)24(2)18-9-4-3-5-10-18/h3-14,16,22H,15H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 8918828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).