tert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate

C19H25N7O6S — CID 10552698

IUPACtert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H25N7O6S/c1-19(2,3)32-18(29)23-10-15(27)22-11-16(28)26-17-21-9-8-14(25-17)24-12-4-6-13(7-5-12)33(20,30)31/h4-9H,10-11H2,1-3H3,(H,22,27)(H,23,29)(H2,20,30,31)(H2,21,24,25,26,28)
InChIKeyPTBTVAHMGNHEOD-UHFFFAOYSA-N
MW479.52 g/mol
LogP0.45
Rot. Bonds8

About tert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate

tert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate (PubChem CID 10552698) has the molecular formula C19H25N7O6S and a molecular weight of 479.52 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate
PubChem CID10552698
Molecular FormulaC19H25N7O6S
Molecular Weight479.52 g/mol
Exact Mass479.16
IUPAC Nametert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H25N7O6S/c1-19(2,3)32-18(29)23-10-15(27)22-11-16(28)26-17-21-9-8-14(25-17)24-12-4-6-13(7-5-12)33(20,30)31/h4-9H,10-11H2,1-3H3,(H,22,27)(H,23,29)(H2,20,30,31)(H2,21,24,25,26,28)
InChIKeyPTBTVAHMGNHEOD-UHFFFAOYSA-N
XLogP0.45
TPSA194.50 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 50.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]carbamate
CID 10645900
2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]acetamide
CID 10555372
2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]acetamide perchlorate
CID 10555371
tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate
CID 118707459
tert-butyl N-[2-(2-iodo-4-sulfamoylanilino)-2-oxoethyl]carbamate
CID 10837460
2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]sulfamoyl]benzoic acid
CID 171988640
tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate
CID 10784627
tert-butyl N-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]carbamate
CID 122420497
[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 69133156
tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate
CID 55408911
4-[[4-[[4-[(dimethylsulfamoylamino)methyl]phenyl]methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 121282010
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
CID 60596094

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate (CID 10552698) is tert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate?
The InChIKey is PTBTVAHMGNHEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O6S/c1-19(2,3)32-18(29)23-10-15(27)22-11-16(28)26-17-21-9-8-14(25-17)24-12-4-6-13(7-5-12)33(20,30)31/h4-9H,10-11H2,1-3H3,(H,22,27)(H,23,29)(H2,20,30,31)(H2,21,24,25,26,28).
What are the key properties of tert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate has a molecular weight of 479.52 g/mol, XLogP of 0.45, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]amino]ethyl]carbamate is sourced from PubChem (CID 10552698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).