N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C22H23N3O5S2 — CID 46593393

IUPACN-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)c1ccco1
InChIInChI=1S/C22H23N3O5S2/c26-21(18-5-4-14-30-18)24-20-11-10-19(31-20)22(27)23-15-16-6-8-17(9-7-16)32(28,29)25-12-2-1-3-13-25/h4-11,14H,1-3,12-13,15H2,(H,23,27)(H,24,26)
InChIKeyZIMDLQUMFLCYBL-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.70
Rot. Bonds7

About N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 46593393) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID46593393
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC NameN-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)c1ccco1
InChIInChI=1S/C22H23N3O5S2/c26-21(18-5-4-14-30-18)24-20-11-10-19(31-20)22(27)23-15-16-6-8-17(9-7-16)32(28,29)25-12-2-1-3-13-25/h4-11,14H,1-3,12-13,15H2,(H,23,27)(H,24,26)
InChIKeyZIMDLQUMFLCYBL-UHFFFAOYSA-N
XLogP3.70
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60553481
N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55509586
N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60556284
N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
CID 30756951
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide
CID 46450029
N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 94049859
N-[5-[(2-hydroxycyclopentyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 111471137
N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24548452
N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31309961
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758769
N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]furan-2-carboxamide
CID 2329057
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
CID 27861900

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 46593393) is N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)c1ccco1.
What is the InChIKey of N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is ZIMDLQUMFLCYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c26-21(18-5-4-14-30-18)24-20-11-10-19(31-20)22(27)23-15-16-6-8-17(9-7-16)32(28,29)25-12-2-1-3-13-25/h4-11,14H,1-3,12-13,15H2,(H,23,27)(H,24,26).
What are the key properties of N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46593393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).