N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide

C24H26N4O2S — CID 53470146

IUPACN-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide
SMILESC[C@@H](CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C24H26N4O2S/c1-16(25-23(29)22-14-17-6-2-5-9-21(17)31-22)15-27-12-10-18(11-13-27)28-20-8-4-3-7-19(20)26-24(28)30/h2-9,14,16,18H,10-13,15H2,1H3,(H,25,29)(H,26,30)/t16-/m0/s1
InChIKeyREVZYRDPYGXHCC-INIZCTEOSA-N
MW434.57 g/mol
LogP4.00
Rot. Bonds5

About N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide

N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 53470146) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID53470146
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide
SMILESC[C@@H](CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C24H26N4O2S/c1-16(25-23(29)22-14-17-6-2-5-9-21(17)31-22)15-27-12-10-18(11-13-27)28-20-8-4-3-7-19(20)26-24(28)30/h2-9,14,16,18H,10-13,15H2,1H3,(H,25,29)(H,26,30)/t16-/m0/s1
InChIKeyREVZYRDPYGXHCC-INIZCTEOSA-N
XLogP4.00
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide (CID 53470146) is N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide is C[C@@H](CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is REVZYRDPYGXHCC-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-16(25-23(29)22-14-17-6-2-5-9-21(17)31-22)15-27-12-10-18(11-13-27)28-20-8-4-3-7-19(20)26-24(28)30/h2-9,14,16,18H,10-13,15H2,1H3,(H,25,29)(H,26,30)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide?
N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 53470146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).