N-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide

C23H26N4O4S — CID 3215310

IUPACN-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1cccnc1
InChIInChI=1S/C23H26N4O4S/c1-4-23(2,3)26-22(30)20(17-9-6-12-31-17)27(16-8-5-11-24-14-16)19(28)15-25-21(29)18-10-7-13-32-18/h5-14,20H,4,15H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyGYTJISHWWXBYNU-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.55
Rot. Bonds9

About N-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3215310) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3215310
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC NameN-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1cccnc1
InChIInChI=1S/C23H26N4O4S/c1-4-23(2,3)26-22(30)20(17-9-6-12-31-17)27(16-8-5-11-24-14-16)19(28)15-25-21(29)18-10-7-13-32-18/h5-14,20H,4,15H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyGYTJISHWWXBYNU-UHFFFAOYSA-N
XLogP3.55
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 3215310) is N-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide is CCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1cccnc1.
What is the InChIKey of N-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is GYTJISHWWXBYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-4-23(2,3)26-22(30)20(17-9-6-12-31-17)27(16-8-5-11-24-14-16)19(28)15-25-21(29)18-10-7-13-32-18/h5-14,20H,4,15H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-pyridin-3-ylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3215310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).