N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide

C26H37N3O4S — CID 55990967

IUPACN-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
SMILESCc1ccc(CN(C(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)C(C)C)o1
InChIInChI=1S/C26H37N3O4S/c1-20(2)29(19-23-12-10-21(3)33-23)26(30)22-11-13-24(27-14-6-4-7-15-27)25(18-22)34(31,32)28-16-8-5-9-17-28/h10-13,18,20H,4-9,14-17,19H2,1-3H3
InChIKeyIYNDQDXZDATWCP-UHFFFAOYSA-N
MW487.67 g/mol
LogP4.80
Rot. Bonds7

About N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide

N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide (PubChem CID 55990967) has the molecular formula C26H37N3O4S and a molecular weight of 487.67 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
PubChem CID55990967
Molecular FormulaC26H37N3O4S
Molecular Weight487.67 g/mol
Exact Mass487.25
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
SMILESCc1ccc(CN(C(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)C(C)C)o1
InChIInChI=1S/C26H37N3O4S/c1-20(2)29(19-23-12-10-21(3)33-23)26(30)22-11-13-24(27-14-6-4-7-15-27)25(18-22)34(31,32)28-16-8-5-9-17-28/h10-13,18,20H,4-9,14-17,19H2,1-3H3
InChIKeyIYNDQDXZDATWCP-UHFFFAOYSA-N
XLogP4.80
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide
CID 55856871
4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
CID 55819127
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide
CID 55819003
N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349120
3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)-propan-2-ylamino]propanoic acid
CID 119206881
azepan-1-yl-(4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 24531727
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55879251
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 43051837
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 24532563
1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 55855836
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate
CID 42923595

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide (CID 55990967) is N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide is Cc1ccc(CN(C(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)C(C)C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide?
The InChIKey is IYNDQDXZDATWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4S/c1-20(2)29(19-23-12-10-21(3)33-23)26(30)22-11-13-24(27-14-6-4-7-15-27)25(18-22)34(31,32)28-16-8-5-9-17-28/h10-13,18,20H,4-9,14-17,19H2,1-3H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide?
N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide has a molecular weight of 487.67 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 55990967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).