N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide

C18H16ClN3O5S2 — CID 43034345

IUPACN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)n2)o1
InChIInChI=1S/C18H16ClN3O5S2/c1-10(23)20-8-12-4-6-15(27-12)14-9-28-18(21-14)22-17(24)11-3-5-13(19)16(7-11)29(2,25)26/h3-7,9H,8H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyBHHOKYMKMLRBAC-UHFFFAOYSA-N
MW453.93 g/mol
LogP3.35
Rot. Bonds6

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide (PubChem CID 43034345) has the molecular formula C18H16ClN3O5S2 and a molecular weight of 453.93 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide
PubChem CID43034345
Molecular FormulaC18H16ClN3O5S2
Molecular Weight453.93 g/mol
Exact Mass453.02
IUPAC NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)n2)o1
InChIInChI=1S/C18H16ClN3O5S2/c1-10(23)20-8-12-4-6-15(27-12)14-9-28-18(21-14)22-17(24)11-3-5-13(19)16(7-11)29(2,25)26/h3-7,9H,8H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyBHHOKYMKMLRBAC-UHFFFAOYSA-N
XLogP3.35
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 17398403
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-methoxybenzamide
CID 42378203
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 24570801
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-chloro-2-hydroxybenzamide
CID 18127839
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 51263111
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17406432
tert-butyl N-[3-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate
CID 42379322
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 24644942
N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-4-tert-butylbenzamide
CID 36540505
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119696349
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42378438
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide
CID 24570707

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide (CID 43034345) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)n2)o1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide?
The InChIKey is BHHOKYMKMLRBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5S2/c1-10(23)20-8-12-4-6-15(27-12)14-9-28-18(21-14)22-17(24)11-3-5-13(19)16(7-11)29(2,25)26/h3-7,9H,8H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide?
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide has a molecular weight of 453.93 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide is sourced from PubChem (CID 43034345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).