N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide

C14H15NO4S2 — CID 663691

IUPACN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H15NO4S2/c16-14(13-4-2-7-20-13)15(9-12-3-1-6-19-12)11-5-8-21(17,18)10-11/h1-4,6-7,11H,5,8-10H2
InChIKeyZNNBUYYZDLJYTF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.17
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 663691) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID663691
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H15NO4S2/c16-14(13-4-2-7-20-13)15(9-12-3-1-6-19-12)11-5-8-21(17,18)10-11/h1-4,6-7,11H,5,8-10H2
InChIKeyZNNBUYYZDLJYTF-UHFFFAOYSA-N
XLogP2.17
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 573774
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-isobutylfuran-2-carboxamide
CID 16269000
N-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)furan-2-carboxamide
CID 18573626
2-Benzenesulfonylamino-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-thiophen-2-ylmethyl-acetamide
CID 651765
1-(2-Furoyl)-4-(2-thienylsulfonyl)piperazine
CID 756358
2-N,5-N-bis(furan-2-ylmethyl)thiophene-2,5-dicarboxamide
CID 2314061
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide
CID 2385652
(2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2574961
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2999589
N-(2-furylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
CID 3238147
2-(2-Furyl)-3-(phenylsulfonyl)-1,3-thiazolidine
CID 3242237
3-[(5-bromothien-2-yl)sulfonyl]-N-[(5-methyl-2-furyl)methyl]propanamide
CID 3242257

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide (CID 663691) is N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1ccco1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is ZNNBUYYZDLJYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c16-14(13-4-2-7-20-13)15(9-12-3-1-6-19-12)11-5-8-21(17,18)10-11/h1-4,6-7,11H,5,8-10H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 663691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).