1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide

C25H31N5O4S — CID 58714481

IUPAC1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCN[C@@H](CC(C)C)c1nc(-c2ccc(S(=O)(=O)Nc3cccc(NC(=O)C4(C)CC4)c3)cc2)no1
InChIInChI=1S/C25H31N5O4S/c1-16(2)14-21(26-4)23-28-22(29-34-23)17-8-10-20(11-9-17)35(32,33)30-19-7-5-6-18(15-19)27-24(31)25(3)12-13-25/h5-11,15-16,21,26,30H,12-14H2,1-4H3,(H,27,31)/t21-/m0/s1
InChIKeyKUTAHZQSTJPKQQ-NRFANRHFSA-N
MW497.62 g/mol
LogP4.58
Rot. Bonds10

About 1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide

1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide (PubChem CID 58714481) has the molecular formula C25H31N5O4S and a molecular weight of 497.62 g/mol. Its IUPAC name is 1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
PubChem CID58714481
Molecular FormulaC25H31N5O4S
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC Name1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCN[C@@H](CC(C)C)c1nc(-c2ccc(S(=O)(=O)Nc3cccc(NC(=O)C4(C)CC4)c3)cc2)no1
InChIInChI=1S/C25H31N5O4S/c1-16(2)14-21(26-4)23-28-22(29-34-23)17-8-10-20(11-9-17)35(32,33)30-19-7-5-6-18(15-19)27-24(31)25(3)12-13-25/h5-11,15-16,21,26,30H,12-14H2,1-4H3,(H,27,31)/t21-/m0/s1
InChIKeyKUTAHZQSTJPKQQ-NRFANRHFSA-N
XLogP4.58
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[4-[5-(1-amino-4-methylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 21061380
N-[3-[[4-[5-(1,5-diaminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 21061350
[5-azaniumyl-1-[3-[4-[[3-[(1-methylcyclopropanecarbonyl)amino]phenyl]sulfamoyl]phenyl]-1,2,4-oxadiazol-5-yl]pentyl]azanium
CID 21061349
N-[4-[[3-[5-[(1S)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 58714490
N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 21060751
N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 10293631
N-[3-[[4-[5-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 58714475
3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060725
3-hydroxy-2,2-dimethyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060727
N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 92728786
N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide
CID 71377168
N-[3-[[4-[5-[2-(3-aminopropylamino)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-3-fluoro-2,2-dimethylpropanamide
CID 21061388

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide (CID 58714481) is 1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide is CN[C@@H](CC(C)C)c1nc(-c2ccc(S(=O)(=O)Nc3cccc(NC(=O)C4(C)CC4)c3)cc2)no1.
What is the InChIKey of 1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The InChIKey is KUTAHZQSTJPKQQ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31N5O4S/c1-16(2)14-21(26-4)23-28-22(29-34-23)17-8-10-20(11-9-17)35(32,33)30-19-7-5-6-18(15-19)27-24(31)25(3)12-13-25/h5-11,15-16,21,26,30H,12-14H2,1-4H3,(H,27,31)/t21-/m0/s1.
What are the key properties of 1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide?
1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 4.58, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 58714481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).