N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid

C31H37F3N4O7S — CID 67329916

IUPACN-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)N3CCN(CCc4ccncc4)CC3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C29H36N4O5S.C2HF3O2/c1-21-16-26(37-3)17-22(2)28(21)39(35,36)33(25-4-5-25)19-27-18-24(20-38-27)29(34)32-14-12-31(13-15-32)11-8-23-6-9-30-10-7-23;3-2(4,5)1(6)7/h6-7,9-10,16-18,20,25H,4-5,8,11-15,19H2,1-3H3;(H,6,7)
InChIKeyDMBNBRBALGSVSG-UHFFFAOYSA-N
MW666.72 g/mol
LogP4.29
Rot. Bonds10

About N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid

N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 67329916) has the molecular formula C31H37F3N4O7S and a molecular weight of 666.72 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID67329916
Molecular FormulaC31H37F3N4O7S
Molecular Weight666.72 g/mol
Exact Mass666.23
IUPAC NameN-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)N3CCN(CCc4ccncc4)CC3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C29H36N4O5S.C2HF3O2/c1-21-16-26(37-3)17-22(2)28(21)39(35,36)33(25-4-5-25)19-27-18-24(20-38-27)29(34)32-14-12-31(13-15-32)11-8-23-6-9-30-10-7-23;3-2(4,5)1(6)7/h6-7,9-10,16-18,20,25H,4-5,8,11-15,19H2,1-3H3;(H,6,7)
InChIKeyDMBNBRBALGSVSG-UHFFFAOYSA-N
XLogP4.29
TPSA133.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500666.72
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid (CID 67329916) is N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid is COc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)N3CCN(CCc4ccncc4)CC3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is DMBNBRBALGSVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O5S.C2HF3O2/c1-21-16-26(37-3)17-22(2)28(21)39(35,36)33(25-4-5-25)19-27-18-24(20-38-27)29(34)32-14-12-31(13-15-32)11-8-23-6-9-30-10-7-23;3-2(4,5)1(6)7/h6-7,9-10,16-18,20,25H,4-5,8,11-15,19H2,1-3H3;(H,6,7).
What are the key properties of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 666.72 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67329916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).