N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide

C23H23ClN4O3S — CID 139519315

IUPACN-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(Cl)c2)cc1)c1cccc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C23H23ClN4O3S/c1-2-20(21-4-3-5-22(27-21)28-32(30,31)19-10-11-19)23(29)26-18-8-6-15(7-9-18)16-12-17(24)14-25-13-16/h3-9,12-14,19-20H,2,10-11H2,1H3,(H,26,29)(H,27,28)
InChIKeyNTDMAECNBCDZOJ-UHFFFAOYSA-N
MW470.98 g/mol
LogP4.83
Rot. Bonds8

About N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide

N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide (PubChem CID 139519315) has the molecular formula C23H23ClN4O3S and a molecular weight of 470.98 g/mol. Its IUPAC name is N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide
PubChem CID139519315
Molecular FormulaC23H23ClN4O3S
Molecular Weight470.98 g/mol
Exact Mass470.12
IUPAC NameN-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(Cl)c2)cc1)c1cccc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C23H23ClN4O3S/c1-2-20(21-4-3-5-22(27-21)28-32(30,31)19-10-11-19)23(29)26-18-8-6-15(7-9-18)16-12-17(24)14-25-13-16/h3-9,12-14,19-20H,2,10-11H2,1H3,(H,26,29)(H,27,28)
InChIKeyNTDMAECNBCDZOJ-UHFFFAOYSA-N
XLogP4.83
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide?
The IUPAC name of N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide (CID 139519315) is N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide.
What is the SMILES notation for N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide?
The canonical SMILES for N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide is CCC(C(=O)Nc1ccc(-c2cncc(Cl)c2)cc1)c1cccc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide?
The InChIKey is NTDMAECNBCDZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S/c1-2-20(21-4-3-5-22(27-21)28-32(30,31)19-10-11-19)23(29)26-18-8-6-15(7-9-18)16-12-17(24)14-25-13-16/h3-9,12-14,19-20H,2,10-11H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide?
N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide has a molecular weight of 470.98 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]butanamide is sourced from PubChem (CID 139519315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).