N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C20H27N3O5S — CID 9371831

IUPACN-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H27N3O5S/c1-13(2)17(22-18(24)16-10-7-11-28-16)19(25)21-14-8-6-9-15(12-14)29(26,27)23-20(3,4)5/h6-13,17,23H,1-5H3,(H,21,25)(H,22,24)/t17-/m0/s1
InChIKeyXRAVYGALRJSSKT-KRWDZBQOSA-N
MW421.52 g/mol
LogP2.75
Rot. Bonds7

About N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 9371831) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID9371831
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H27N3O5S/c1-13(2)17(22-18(24)16-10-7-11-28-16)19(25)21-14-8-6-9-15(12-14)29(26,27)23-20(3,4)5/h6-13,17,23H,1-5H3,(H,21,25)(H,22,24)/t17-/m0/s1
InChIKeyXRAVYGALRJSSKT-KRWDZBQOSA-N
XLogP2.75
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 46510440
N-[1-(3-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78783328
N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 86931910
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688
2-methoxyethyl N-[3-[[2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]phenyl]carbamate
CID 47740738
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 119688794
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
N-[3-methyl-1-oxo-1-[3-(thiomorpholin-4-ylmethyl)anilino]butan-2-yl]furan-2-carboxamide
CID 49005878
(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 9371847
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119270879
3-chloro-N-[(2R)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide
CID 26003755
N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9259995

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 9371831) is N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is XRAVYGALRJSSKT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-13(2)17(22-18(24)16-10-7-11-28-16)19(25)21-14-8-6-9-15(12-14)29(26,27)23-20(3,4)5/h6-13,17,23H,1-5H3,(H,21,25)(H,22,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 9371831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).