N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide

C14H18F2N4O4S — CID 55354582

IUPACN-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCC(C(=O)NC(N)=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H18F2N4O4S/c1-9(13(21)18-14(17)22)19-4-6-20(7-5-19)25(23,24)10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7H2,1H3,(H3,17,18,21,22)
InChIKeyDPJASXZEPFDVSO-UHFFFAOYSA-N
MW376.39 g/mol
LogP-0.15
Rot. Bonds4

About N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide

N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 55354582) has the molecular formula C14H18F2N4O4S and a molecular weight of 376.39 g/mol. Its IUPAC name is N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID55354582
Molecular FormulaC14H18F2N4O4S
Molecular Weight376.39 g/mol
Exact Mass376.10
IUPAC NameN-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCC(C(=O)NC(N)=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H18F2N4O4S/c1-9(13(21)18-14(17)22)19-4-6-20(7-5-19)25(23,24)10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7H2,1H3,(H3,17,18,21,22)
InChIKeyDPJASXZEPFDVSO-UHFFFAOYSA-N
XLogP-0.15
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 46801275
(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 25497744
(2S)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8710856
methyl N-[(2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]carbamate
CID 8691372
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834597
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 40752368
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 55354654
N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42950769
(2S)-N-ethyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8688391
(2S)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 40984857
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-fluorophenyl)propanamide
CID 134038394
(2S)-N-(4-chlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 97070852

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide (CID 55354582) is N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide is CC(C(=O)NC(N)=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is DPJASXZEPFDVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O4S/c1-9(13(21)18-14(17)22)19-4-6-20(7-5-19)25(23,24)10-2-3-11(15)12(16)8-10/h2-3,8-9H,4-7H2,1H3,(H3,17,18,21,22).
What are the key properties of N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide?
N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 376.39 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 55354582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).