N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide

C20H18ClN3O4S — CID 163379074

IUPACN-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide
SMILES[H]N=S(=O)(c1ccc(C(=O)NC23CC(c4nc5cc(Cl)ccc5o4)(C2)C3)o1)C1CC1
InChIInChI=1S/C20H18ClN3O4S/c21-11-1-4-14-13(7-11)23-18(28-14)19-8-20(9-19,10-19)24-17(25)15-5-6-16(27-15)29(22,26)12-2-3-12/h1,4-7,12,22H,2-3,8-10H2,(H,24,25)
InChIKeyMWERLTVMUGJDJT-UHFFFAOYSA-N
MW431.90 g/mol
LogP4.25
Rot. Bonds5

About N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide

N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide (PubChem CID 163379074) has the molecular formula C20H18ClN3O4S and a molecular weight of 431.90 g/mol. Its IUPAC name is N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide
PubChem CID163379074
Molecular FormulaC20H18ClN3O4S
Molecular Weight431.90 g/mol
Exact Mass431.07
IUPAC NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide
SMILES[H]N=S(=O)(c1ccc(C(=O)NC23CC(c4nc5cc(Cl)ccc5o4)(C2)C3)o1)C1CC1
InChIInChI=1S/C20H18ClN3O4S/c21-11-1-4-14-13(7-11)23-18(28-14)19-8-20(9-19,10-19)24-17(25)15-5-6-16(27-15)29(22,26)12-2-3-12/h1,4-7,12,22H,2-3,8-10H2,(H,24,25)
InChIKeyMWERLTVMUGJDJT-UHFFFAOYSA-N
XLogP4.25
TPSA109.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(6-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide
CID 163379021
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide
CID 163379050
N-[3-(5-chloro-1,3-benzothiazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(2-methoxyethylsulfonyl)furan-2-carboxamide
CID 164907448
N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(pyrrolidin-1-ylsulfonimidoyl)furan-2-carboxamide
CID 163379189
N-[(6R)-2-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)spiro[3.4]oct-7-en-6-yl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide
CID 174010065
N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(oxetan-3-ylmethylsulfonimidoyl)furan-2-carboxamide
CID 163379116
N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(cyclopropylsulfonylmethyl)furan-2-carboxamide
CID 163379209
N-[5-[[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]carbamoyl]furan-2-yl]sulfonyloxathiolane-3-carboxamide
CID 175937343
5-[[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 163367580
5-[bromo(methylsulfonyl)methyl]-N-[3-(6-chloro-1,3-benzothiazol-2-yl)-1-bicyclo[1.1.1]pentanyl]furan-2-carboxamide
CID 164907446
N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]-5-(propanoylsulfamoyl)furan-2-carboxamide
CID 170202871
N-[3-(6-chloro-1,3-benzothiazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylmethylsulfinyl)furan-2-carboxamide
CID 164907591

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide?
The IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide (CID 163379074) is N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide is [H]N=S(=O)(c1ccc(C(=O)NC23CC(c4nc5cc(Cl)ccc5o4)(C2)C3)o1)C1CC1.
What is the InChIKey of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide?
The InChIKey is MWERLTVMUGJDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S/c21-11-1-4-14-13(7-11)23-18(28-14)19-8-20(9-19,10-19)24-17(25)15-5-6-16(27-15)29(22,26)12-2-3-12/h1,4-7,12,22H,2-3,8-10H2,(H,24,25).
What are the key properties of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide?
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide has a molecular weight of 431.90 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide is sourced from PubChem (CID 163379074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).