N-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide

C18H19FN2O4S2 — CID 51943910

IUPACN-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc(-c2ccccc2F)s1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H19FN2O4S2/c19-14-4-2-1-3-13(14)15-5-6-16(26-15)18(23)20-9-7-17(22)21-12-8-10-27(24,25)11-12/h1-6,12H,7-11H2,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyPVQKSZVJRNFZPM-LBPRGKRZSA-N
MW410.49 g/mol
LogP1.98
Rot. Bonds6

About N-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide

N-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide (PubChem CID 51943910) has the molecular formula C18H19FN2O4S2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide
PubChem CID51943910
Molecular FormulaC18H19FN2O4S2
Molecular Weight410.49 g/mol
Exact Mass410.08
IUPAC NameN-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc(-c2ccccc2F)s1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H19FN2O4S2/c19-14-4-2-1-3-13(14)15-5-6-16(26-15)18(23)20-9-7-17(22)21-12-8-10-27(24,25)11-12/h1-6,12H,7-11H2,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyPVQKSZVJRNFZPM-LBPRGKRZSA-N
XLogP1.98
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 47031666
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide (CID 51943910) is N-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide is O=C(CCNC(=O)c1ccc(-c2ccccc2F)s1)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is PVQKSZVJRNFZPM-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN2O4S2/c19-14-4-2-1-3-13(14)15-5-6-16(26-15)18(23)20-9-7-17(22)21-12-8-10-27(24,25)11-12/h1-6,12H,7-11H2,(H,20,23)(H,21,22)/t12-/m0/s1.
What are the key properties of N-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
N-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 51943910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).