tert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate

C19H24N2O4S — CID 70399319

IUPACtert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)NC(=O)c1ccsc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)25-18(24)20-15(11-13-7-5-4-6-8-13)17(23)21-16(22)14-9-10-26-12-14/h4-10,12,15,17,23H,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyDCJJCBVZQBISDN-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.93
Rot. Bonds6

About tert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate

tert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate (PubChem CID 70399319) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is tert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate
PubChem CID70399319
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Nametert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)NC(=O)c1ccsc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)25-18(24)20-15(11-13-7-5-4-6-8-13)17(23)21-16(22)14-9-10-26-12-14/h4-10,12,15,17,23H,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyDCJJCBVZQBISDN-UHFFFAOYSA-N
XLogP2.93
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 170895505
tert-butyl N-[(2S)-1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
CID 14523258
tert-butyl N-[(2S)-3-hydroxy-4-methyl-1-phenylpent-4-en-2-yl]carbamate
CID 11150475
tert-butyl N-[(1S)-1-cyano-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 90203735
tert-butyl N-[(2S,3S)-3-hydroxy-4-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]sulfanyl-1-phenylbutan-2-yl]carbamate
CID 15454052
tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate
CID 19365126
tert-butyl N-[(2R,3R,5R)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 15428321
tert-butyl N-[(2S,3R)-4,4-difluoro-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 22846097
[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl] benzoate
CID 139815176
[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl] methanesulfonate
CID 139887294
tert-butyl N-[(2S,3R)-4-cyano-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 68888451

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate (CID 70399319) is tert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)NC(=O)c1ccsc1.
What is the InChIKey of tert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate?
The InChIKey is DCJJCBVZQBISDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-19(2,3)25-18(24)20-15(11-13-7-5-4-6-8-13)17(23)21-16(22)14-9-10-26-12-14/h4-10,12,15,17,23H,11H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of tert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate?
tert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate has a molecular weight of 376.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-hydroxy-3-phenyl-1-(thiophene-3-carbonylamino)propan-2-yl]carbamate is sourced from PubChem (CID 70399319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).