butane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine

C23H40ClN3O2S2 — CID 142208053

IUPACbutane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine
SMILESCC.CCCC.CCNC.CN(C)S(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H15ClN2O2S2.C4H10.C3H9N.C2H6/c1-17(2)21(19)13-8-7-12(20-13)9-16-14(18)10-3-5-11(15)6-4-10;2*1-3-4-2;1-2/h3-8H,9H2,1-2H3,(H,16,18);3-4H2,1-2H3;4H,3H2,1-2H3;1-2H3
InChIKeyHHLMCPRPAQKKFS-UHFFFAOYSA-N
MW490.18 g/mol
LogP5.97
Rot. Bonds7

About butane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine

butane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine (PubChem CID 142208053) has the molecular formula C23H40ClN3O2S2 and a molecular weight of 490.18 g/mol. Its IUPAC name is butane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine.

Molecular Properties

Compound Namebutane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine
PubChem CID142208053
Molecular FormulaC23H40ClN3O2S2
Molecular Weight490.18 g/mol
Exact Mass489.23
IUPAC Namebutane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine
SMILESCC.CCCC.CCNC.CN(C)S(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H15ClN2O2S2.C4H10.C3H9N.C2H6/c1-17(2)21(19)13-8-7-12(20-13)9-16-14(18)10-3-5-11(15)6-4-10;2*1-3-4-2;1-2/h3-8H,9H2,1-2H3,(H,16,18);3-4H2,1-2H3;4H,3H2,1-2H3;1-2H3
InChIKeyHHLMCPRPAQKKFS-UHFFFAOYSA-N
XLogP5.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.18
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 11392290
butane;4-chloro-N-[[5-[[2,2-dimethyl-3-(methylamino)propyl]sulfamoyl]thiophen-2-yl]methyl]benzamide;propane
CID 142208051
4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide
CID 10227995
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 97041440
N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 53280666
3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62055195
4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide
CID 91449149
N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide
CID 2805368
N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide
CID 62184890
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19581522
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652

Frequently Asked Questions

What is the IUPAC name of butane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine?
The IUPAC name of butane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine (CID 142208053) is butane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine.
What is the SMILES notation for butane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine?
The canonical SMILES for butane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine is CC.CCCC.CCNC.CN(C)S(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of butane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine?
The InChIKey is HHLMCPRPAQKKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2.C4H10.C3H9N.C2H6/c1-17(2)21(19)13-8-7-12(20-13)9-16-14(18)10-3-5-11(15)6-4-10;2*1-3-4-2;1-2/h3-8H,9H2,1-2H3,(H,16,18);3-4H2,1-2H3;4H,3H2,1-2H3;1-2H3.
What are the key properties of butane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine?
butane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine has a molecular weight of 490.18 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4-chloro-N-[(5-dimethylsulfinamoylthiophen-2-yl)methyl]benzamide;ethane;N-methylethanamine is sourced from PubChem (CID 142208053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).