N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide

C19H25N3O4S — CID 29285075

IUPACN,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2occc2-c2ccccc2)CC1
InChIInChI=1S/C19H25N3O4S/c1-3-21(4-2)27(24,25)22-13-11-20(12-14-22)19(23)18-17(10-15-26-18)16-8-6-5-7-9-16/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyDHVXXCMDSSYNPW-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.29
Rot. Bonds6

About N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide

N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide (PubChem CID 29285075) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide
PubChem CID29285075
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2occc2-c2ccccc2)CC1
InChIInChI=1S/C19H25N3O4S/c1-3-21(4-2)27(24,25)22-13-11-20(12-14-22)19(23)18-17(10-15-26-18)16-8-6-5-7-9-16/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyDHVXXCMDSSYNPW-UHFFFAOYSA-N
XLogP2.29
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide (CID 29285075) is N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)c2occc2-c2ccccc2)CC1.
What is the InChIKey of N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide?
The InChIKey is DHVXXCMDSSYNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-3-21(4-2)27(24,25)22-13-11-20(12-14-22)19(23)18-17(10-15-26-18)16-8-6-5-7-9-16/h5-10,15H,3-4,11-14H2,1-2H3.
What are the key properties of N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide?
N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide has a molecular weight of 391.49 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 29285075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).