N-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide

C27H40N4O5S — CID 58393022

IUPACN-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)N3CCN(CCCN(C)C)CC3)co2)C2CC2)c(C)c1
InChIInChI=1S/C27H40N4O5S/c1-20-15-24(35-5)16-21(2)26(20)37(33,34)31(23-7-8-23)18-25-17-22(19-36-25)27(32)30-13-11-29(12-14-30)10-6-9-28(3)4/h15-17,19,23H,6-14,18H2,1-5H3
InChIKeyDLSJKGYYDSFQKH-UHFFFAOYSA-N
MW532.71 g/mol
LogP2.97
Rot. Bonds11

About N-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide

N-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide (PubChem CID 58393022) has the molecular formula C27H40N4O5S and a molecular weight of 532.71 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
PubChem CID58393022
Molecular FormulaC27H40N4O5S
Molecular Weight532.71 g/mol
Exact Mass532.27
IUPAC NameN-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)N3CCN(CCCN(C)C)CC3)co2)C2CC2)c(C)c1
InChIInChI=1S/C27H40N4O5S/c1-20-15-24(35-5)16-21(2)26(20)37(33,34)31(23-7-8-23)18-25-17-22(19-36-25)27(32)30-13-11-29(12-14-30)10-6-9-28(3)4/h15-17,19,23H,6-14,18H2,1-5H3
InChIKeyDLSJKGYYDSFQKH-UHFFFAOYSA-N
XLogP2.97
TPSA86.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.71
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide
CID 58393348
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepane-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 67331489
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide
CID 58393155
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 67329363
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-(3-pyrrolidin-1-ylpropyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 67329402
ethyl 5-[[cyclobutyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxylate
CID 58393424
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide
CID 58393405
tert-butyl 4-[2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate
CID 58393186
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 58393274
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
CID 58393246
N-cyclopropyl-N-[[4-[4-[(6-fluoro-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 46175992
tert-butyl N-[1-[2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 58393273

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide (CID 58393022) is N-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)N3CCN(CCCN(C)C)CC3)co2)C2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The InChIKey is DLSJKGYYDSFQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O5S/c1-20-15-24(35-5)16-21(2)26(20)37(33,34)31(23-7-8-23)18-25-17-22(19-36-25)27(32)30-13-11-29(12-14-30)10-6-9-28(3)4/h15-17,19,23H,6-14,18H2,1-5H3.
What are the key properties of N-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
N-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide has a molecular weight of 532.71 g/mol, XLogP of 2.97, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]furan-2-yl]methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 58393022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).