N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide

C22H30N4O5S — CID 34610722

IUPACN-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCN1CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1)c1ccco1
InChIInChI=1S/C22H30N4O5S/c27-22(21-5-2-14-31-21)23-6-7-24-8-10-25(11-9-24)18-19-3-1-4-20(17-19)32(28,29)26-12-15-30-16-13-26/h1-5,14,17H,6-13,15-16,18H2,(H,23,27)
InChIKeyTZBFTWUNXAPCQN-UHFFFAOYSA-N
MW462.57 g/mol
LogP0.85
Rot. Bonds8

About N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide

N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 34610722) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
PubChem CID34610722
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC NameN-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCN1CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1)c1ccco1
InChIInChI=1S/C22H30N4O5S/c27-22(21-5-2-14-31-21)23-6-7-24-8-10-25(11-9-24)18-19-3-1-4-20(17-19)32(28,29)26-12-15-30-16-13-26/h1-5,14,17H,6-13,15-16,18H2,(H,23,27)
InChIKeyTZBFTWUNXAPCQN-UHFFFAOYSA-N
XLogP0.85
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
CID 30961426
N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide
CID 46457547
2-chloro-5-morpholin-4-ylsulfonyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 39688336
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366
N-[2-[[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24548452
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 40863917
4-[3-[(6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]sulfonylmorpholine
CID 167008516
4-[3-[[4-[1-[(3-morpholin-4-ylsulfonylphenyl)methyl]pyrazol-4-yl]pyrazol-1-yl]methyl]phenyl]sulfonylmorpholine
CID 47012655

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide (CID 34610722) is N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide is O=C(NCCN1CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1)c1ccco1.
What is the InChIKey of N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is TZBFTWUNXAPCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c27-22(21-5-2-14-31-21)23-6-7-24-8-10-25(11-9-24)18-19-3-1-4-20(17-19)32(28,29)26-12-15-30-16-13-26/h1-5,14,17H,6-13,15-16,18H2,(H,23,27).
What are the key properties of N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 34610722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).