N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide

C26H28N4O3S — CID 4987147

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C26H28N4O3S/c1-3-16-30(17-4-2)34(32,33)22-14-12-19(13-15-22)26(31)27-21-9-7-8-20(18-21)25-28-23-10-5-6-11-24(23)29-25/h5-15,18H,3-4,16-17H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyKYPYHJPWOTYWIO-UHFFFAOYSA-N
MW476.60 g/mol
LogP5.29
Rot. Bonds9

About N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide (PubChem CID 4987147) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide
PubChem CID4987147
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C26H28N4O3S/c1-3-16-30(17-4-2)34(32,33)22-14-12-19(13-15-22)26(31)27-21-9-7-8-20(18-21)25-28-23-10-5-6-11-24(23)29-25/h5-15,18H,3-4,16-17H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyKYPYHJPWOTYWIO-UHFFFAOYSA-N
XLogP5.29
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide (CID 4987147) is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide?
The InChIKey is KYPYHJPWOTYWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-3-16-30(17-4-2)34(32,33)22-14-12-19(13-15-22)26(31)27-21-9-7-8-20(18-21)25-28-23-10-5-6-11-24(23)29-25/h5-15,18H,3-4,16-17H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide has a molecular weight of 476.60 g/mol, XLogP of 5.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 4987147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).