tert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate

C19H23FN2O3S2 — CID 143499401

IUPACtert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(Cc1ccccc1)NC(=O)c1ccc(SF)s1
InChIInChI=1S/C19H23FN2O3S2/c1-19(2,3)25-18(24)21-12-14(11-13-7-5-4-6-8-13)22-17(23)15-9-10-16(26-15)27-20/h4-10,14H,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyJROULHQWVOELAX-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.59
Rot. Bonds7

About tert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate

tert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate (PubChem CID 143499401) has the molecular formula C19H23FN2O3S2 and a molecular weight of 410.54 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate
PubChem CID143499401
Molecular FormulaC19H23FN2O3S2
Molecular Weight410.54 g/mol
Exact Mass410.11
IUPAC Nametert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(Cc1ccccc1)NC(=O)c1ccc(SF)s1
InChIInChI=1S/C19H23FN2O3S2/c1-19(2,3)25-18(24)21-12-14(11-13-7-5-4-6-8-13)22-17(23)15-9-10-16(26-15)27-20/h4-10,14H,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyJROULHQWVOELAX-UHFFFAOYSA-N
XLogP4.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[[5-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carbonyl]amino]-3-phenylpropyl]carbamate
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tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate
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tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
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methyl (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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tert-butyl N-[4,4-bis(benzenesulfonyl)-4-fluoro-1-phenylbutan-2-yl]carbamate
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tert-butyl N-[(2S)-2-[(4-bromothiophene-2-carbonyl)amino]-3-(4-chlorophenyl)propyl]carbamate
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benzyl N-[1-[[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-phenylpropyl]amino]-1-oxopropan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate (CID 143499401) is tert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate is CC(C)(C)OC(=O)NCC(Cc1ccccc1)NC(=O)c1ccc(SF)s1.
What is the InChIKey of tert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate?
The InChIKey is JROULHQWVOELAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S2/c1-19(2,3)25-18(24)21-12-14(11-13-7-5-4-6-8-13)22-17(23)15-9-10-16(26-15)27-20/h4-10,14H,11-12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of tert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate?
tert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate has a molecular weight of 410.54 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-fluorosulfanylthiophene-2-carbonyl)amino]-3-phenylpropyl]carbamate is sourced from PubChem (CID 143499401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).