N-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide

C23H31N3O5S — CID 166124177

IUPACN-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide
SMILESCC(C)(O)c1coc(S(N)(=O)=O)c1C(=O)Nc1c(CC2CCC2)cncc1CC1CCC1
InChIInChI=1S/C23H31N3O5S/c1-23(2,28)18-13-31-22(32(24,29)30)19(18)21(27)26-20-16(9-14-5-3-6-14)11-25-12-17(20)10-15-7-4-8-15/h11-15,28H,3-10H2,1-2H3,(H2,24,29,30)(H,25,26,27)
InChIKeyBFMOUFTVSNQHGS-UHFFFAOYSA-N
MW461.58 g/mol
LogP3.49
Rot. Bonds8

About N-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide

N-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide (PubChem CID 166124177) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide
PubChem CID166124177
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC NameN-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide
SMILESCC(C)(O)c1coc(S(N)(=O)=O)c1C(=O)Nc1c(CC2CCC2)cncc1CC1CCC1
InChIInChI=1S/C23H31N3O5S/c1-23(2,28)18-13-31-22(32(24,29)30)19(18)21(27)26-20-16(9-14-5-3-6-14)11-25-12-17(20)10-15-7-4-8-15/h11-15,28H,3-10H2,1-2H3,(H2,24,29,30)(H,25,26,27)
InChIKeyBFMOUFTVSNQHGS-UHFFFAOYSA-N
XLogP3.49
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide?
The IUPAC name of N-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide (CID 166124177) is N-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide?
The canonical SMILES for N-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide is CC(C)(O)c1coc(S(N)(=O)=O)c1C(=O)Nc1c(CC2CCC2)cncc1CC1CCC1.
What is the InChIKey of N-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide?
The InChIKey is BFMOUFTVSNQHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-23(2,28)18-13-31-22(32(24,29)30)19(18)21(27)26-20-16(9-14-5-3-6-14)11-25-12-17(20)10-15-7-4-8-15/h11-15,28H,3-10H2,1-2H3,(H2,24,29,30)(H,25,26,27).
What are the key properties of N-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide?
N-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide has a molecular weight of 461.58 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(cyclobutylmethyl)-4-pyridinyl]-4-(2-hydroxypropan-2-yl)-2-sulfamoylfuran-3-carboxamide is sourced from PubChem (CID 166124177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).