4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide

C24H31F2N3O4S — CID 55910253

IUPAC4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C24H31F2N3O4S/c1-17(2)33-21-9-6-19(7-10-21)5-4-18(3)27-24(30)28-12-14-29(15-13-28)34(31,32)23-16-20(25)8-11-22(23)26/h6-11,16-18H,4-5,12-15H2,1-3H3,(H,27,30)
InChIKeyNVOSHIFBVWWPID-UHFFFAOYSA-N
MW495.59 g/mol
LogP3.79
Rot. Bonds8

About 4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide

4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide (PubChem CID 55910253) has the molecular formula C24H31F2N3O4S and a molecular weight of 495.59 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide
PubChem CID55910253
Molecular FormulaC24H31F2N3O4S
Molecular Weight495.59 g/mol
Exact Mass495.20
IUPAC Name4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C24H31F2N3O4S/c1-17(2)33-21-9-6-19(7-10-21)5-4-18(3)27-24(30)28-12-14-29(15-13-28)34(31,32)23-16-20(25)8-11-22(23)26/h6-11,16-18H,4-5,12-15H2,1-3H3,(H,27,30)
InChIKeyNVOSHIFBVWWPID-UHFFFAOYSA-N
XLogP3.79
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 110901487
4-(2-chlorophenyl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]piperazine-1-carboxamide
CID 25490786
N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811202
1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 56797928
benzyl N-[(2S)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 41275132
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9371091
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8796871
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
CID 18289403
1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 60544210
4-(3,4-dimethoxyphenyl)sulfonyl-N-(4-phenylbutan-2-yl)piperazine-1-carboxamide
CID 46486034
4-(3-bromophenyl)sulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperazine-1-carboxamide
CID 27534090
1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide
CID 86855169

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide (CID 55910253) is 4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide is CC(CCc1ccc(OC(C)C)cc1)NC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide?
The InChIKey is NVOSHIFBVWWPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N3O4S/c1-17(2)33-21-9-6-19(7-10-21)5-4-18(3)27-24(30)28-12-14-29(15-13-28)34(31,32)23-16-20(25)8-11-22(23)26/h6-11,16-18H,4-5,12-15H2,1-3H3,(H,27,30).
What are the key properties of 4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide?
4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide has a molecular weight of 495.59 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)sulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 55910253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).