N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C18H21N5O4S — CID 108565743

IUPACN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C18H21N5O4S/c1-11-17(12(2)27-21-11)28(25,26)22-14-5-7-23(8-6-14)18(24)13-3-4-15-16(9-13)20-10-19-15/h3-4,9-10,14,22H,5-8H2,1-2H3,(H,19,20)
InChIKeyNGKIHPCIEXDJML-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.75
Rot. Bonds4

About N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 108565743) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID108565743
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC NameN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C18H21N5O4S/c1-11-17(12(2)27-21-11)28(25,26)22-14-5-7-23(8-6-14)18(24)13-3-4-15-16(9-13)20-10-19-15/h3-4,9-10,14,22H,5-8H2,1-2H3,(H,19,20)
InChIKeyNGKIHPCIEXDJML-UHFFFAOYSA-N
XLogP1.75
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108566886
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108563474
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 56795021
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110745920
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821508
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556405
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
3H-benzimidazol-5-yl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 146075721

Frequently Asked Questions

What is the IUPAC name of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 108565743) is N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is NGKIHPCIEXDJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-11-17(12(2)27-21-11)28(25,26)22-14-5-7-23(8-6-14)18(24)13-3-4-15-16(9-13)20-10-19-15/h3-4,9-10,14,22H,5-8H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 403.46 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 108565743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).