N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide

C25H25N3O2S — CID 83281798

IUPACN-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
SMILESCCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C25H25N3O2S/c1-2-3-13-28-21-12-11-20(27-25(30)23-10-7-14-31-23)15-19(21)16-22(28)24(29)26-17-18-8-5-4-6-9-18/h4-12,14-16H,2-3,13,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyFFLBKSKVZWDJCL-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.69
Rot. Bonds8

About N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide

N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide (PubChem CID 83281798) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
PubChem CID83281798
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC NameN-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
SMILESCCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C25H25N3O2S/c1-2-3-13-28-21-12-11-20(27-25(30)23-10-7-14-31-23)15-19(21)16-22(28)24(29)26-17-18-8-5-4-6-9-18/h4-12,14-16H,2-3,13,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyFFLBKSKVZWDJCL-UHFFFAOYSA-N
XLogP5.69
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide
CID 83288380
N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 83289579
N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide
CID 91635045
1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
CID 83282723
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 83281992
N-benzylthiophene-2-carboxamide
CID 574227
N-[1-butyl-2-[(2-methylimidazol-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
CID 29079928
N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 83281975
N-benzyl-1-[(3-methylphenyl)methyl]-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide
CID 83287300
N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide
CID 3245460
N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide
CID 141192457

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide?
The IUPAC name of N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide (CID 83281798) is N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide.
What is the SMILES notation for N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide?
The canonical SMILES for N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide is CCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide?
The InChIKey is FFLBKSKVZWDJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-2-3-13-28-21-12-11-20(27-25(30)23-10-7-14-31-23)15-19(21)16-22(28)24(29)26-17-18-8-5-4-6-9-18/h4-12,14-16H,2-3,13,17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide?
N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide is sourced from PubChem (CID 83281798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).