N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide

C18H17N3O4S2 — CID 1236900

IUPACN-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)c1ccco1
InChIInChI=1S/C18H17N3O4S2/c22-17(16-4-3-11-25-16)20-18-19-15(12-26-18)13-5-7-14(8-6-13)27(23,24)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,19,20,22)
InChIKeyJHERMBZHKYZGIF-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.44
Rot. Bonds5

About N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 1236900) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID1236900
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC NameN-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)c1ccco1
InChIInChI=1S/C18H17N3O4S2/c22-17(16-4-3-11-25-16)20-18-19-15(12-26-18)13-5-7-14(8-6-13)27(23,24)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,19,20,22)
InChIKeyJHERMBZHKYZGIF-UHFFFAOYSA-N
XLogP3.44
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 1236900) is N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)c1ccco1.
What is the InChIKey of N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is JHERMBZHKYZGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c22-17(16-4-3-11-25-16)20-18-19-15(12-26-18)13-5-7-14(8-6-13)27(23,24)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,19,20,22).
What are the key properties of N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1236900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).