N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide

C24H29N5O5S — CID 53078954

IUPACN-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)CC1
InChIInChI=1S/C24H29N5O5S/c1-16(2)29-18(4)22(17(3)26-29)35(32,33)28-12-10-27(11-13-28)24(31)19-7-5-8-20(15-19)25-23(30)21-9-6-14-34-21/h5-9,14-16H,10-13H2,1-4H3,(H,25,30)
InChIKeyHHRIZDQNNWDMEW-UHFFFAOYSA-N
MW499.59 g/mol
LogP3.07
Rot. Bonds6

About N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide

N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 53078954) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID53078954
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC NameN-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)CC1
InChIInChI=1S/C24H29N5O5S/c1-16(2)29-18(4)22(17(3)26-29)35(32,33)28-12-10-27(11-13-28)24(31)19-7-5-8-20(15-19)25-23(30)21-9-6-14-34-21/h5-9,14-16H,10-13H2,1-4H3,(H,25,30)
InChIKeyHHRIZDQNNWDMEW-UHFFFAOYSA-N
XLogP3.07
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 53078983
N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide
CID 53078943
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 110897057
4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 53078958
[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53078979
N-[3-methyl-1-oxo-1-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butan-2-yl]furan-2-carboxamide
CID 53078773
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843452
N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 34471106
N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 53087736
N-[3-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]prop-2-enamide
CID 166407190
N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55959407
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 78793816

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide (CID 53078954) is N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide is Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)CC1.
What is the InChIKey of N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is HHRIZDQNNWDMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c1-16(2)29-18(4)22(17(3)26-29)35(32,33)28-12-10-27(11-13-28)24(31)19-7-5-8-20(15-19)25-23(30)21-9-6-14-34-21/h5-9,14-16H,10-13H2,1-4H3,(H,25,30).
What are the key properties of N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide?
N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 499.59 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 53078954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).