N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide

C16H19N3O5S — CID 51942411

IUPACN-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccco1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C16H19N3O5S/c1-11(12-5-3-6-13(9-12)19-25(2,22)23)18-15(20)10-17-16(21)14-7-4-8-24-14/h3-9,11,19H,10H2,1-2H3,(H,17,21)(H,18,20)/t11-/m0/s1
InChIKeyGATOGTINPDCDEA-NSHDSACASA-N
MW365.41 g/mol
LogP1.26
Rot. Bonds7

About N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 51942411) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID51942411
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC NameN-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccco1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C16H19N3O5S/c1-11(12-5-3-6-13(9-12)19-25(2,22)23)18-15(20)10-17-16(21)14-7-4-8-24-14/h3-9,11,19H,10H2,1-2H3,(H,17,21)(H,18,20)/t11-/m0/s1
InChIKeyGATOGTINPDCDEA-NSHDSACASA-N
XLogP1.26
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-oxo-2-[[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide
CID 9396624
N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide
CID 9396618
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide
CID 60512770
N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9162418
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 55666139
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 7880281
5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 86982220
3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 52516223
N-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 31194170
N-[3-[1-(ethylamino)ethyl]phenyl]furan-2-carboxamide
CID 43507845
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9441486

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 51942411) is N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide is C[C@H](NC(=O)CNC(=O)c1ccco1)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is GATOGTINPDCDEA-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-11(12-5-3-6-13(9-12)19-25(2,22)23)18-15(20)10-17-16(21)14-7-4-8-24-14/h3-9,11,19H,10H2,1-2H3,(H,17,21)(H,18,20)/t11-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 51942411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).