N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide

C22H23N3O5S — CID 16820026

IUPACN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc2ccccc12
InChIInChI=1S/C22H23N3O5S/c26-21(19-8-3-6-17-5-1-2-7-18(17)19)23-10-16-31(28,29)25-13-11-24(12-14-25)22(27)20-9-4-15-30-20/h1-9,15H,10-14,16H2,(H,23,26)
InChIKeyGXBVPNLKEMKWPD-UHFFFAOYSA-N
MW441.51 g/mol
LogP1.95
Rot. Bonds6

About N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide (PubChem CID 16820026) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
PubChem CID16820026
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc2ccccc12
InChIInChI=1S/C22H23N3O5S/c26-21(19-8-3-6-17-5-1-2-7-18(17)19)23-10-16-31(28,29)25-13-11-24(12-14-25)22(27)20-9-4-15-30-20/h1-9,15H,10-14,16H2,(H,23,26)
InChIKeyGXBVPNLKEMKWPD-UHFFFAOYSA-N
XLogP1.95
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601104
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide
CID 44961309
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 41349937
N-[2-(furan-2-carbonylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 33191164
(4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 108569232
1-(3-fluorophenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
CID 44961318
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one
CID 110342641
N-(2-sulfamoylethyl)naphthalene-1-carboxamide
CID 61067529
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide
CID 25162180
4-(furan-2-carbonyl)-N'-methyl-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
CID 111167773
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide (CID 16820026) is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide is O=C(NCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide?
The InChIKey is GXBVPNLKEMKWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c26-21(19-8-3-6-17-5-1-2-7-18(17)19)23-10-16-31(28,29)25-13-11-24(12-14-25)22(27)20-9-4-15-30-20/h1-9,15H,10-14,16H2,(H,23,26).
What are the key properties of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide?
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 16820026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).