N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C20H21N3O4S2 — CID 16571980

IUPACN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cs1
InChIInChI=1S/C20H21N3O4S2/c1-14-22-18(13-28-14)19-9-6-16(27-19)12-21-20(24)15-4-7-17(8-5-15)29(25,26)23-10-2-3-11-23/h4-9,13H,2-3,10-12H2,1H3,(H,21,24)
InChIKeyMNXXZQSBZRFHBK-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.43
Rot. Bonds6

About N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 16571980) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID16571980
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cs1
InChIInChI=1S/C20H21N3O4S2/c1-14-22-18(13-28-14)19-9-6-16(27-19)12-21-20(24)15-4-7-17(8-5-15)29(25,26)23-10-2-3-11-23/h4-9,13H,2-3,10-12H2,1H3,(H,21,24)
InChIKeyMNXXZQSBZRFHBK-UHFFFAOYSA-N
XLogP3.43
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 16571980) is N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is Cc1nc(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cs1.
What is the InChIKey of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is MNXXZQSBZRFHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-14-22-18(13-28-14)19-9-6-16(27-19)12-21-20(24)15-4-7-17(8-5-15)29(25,26)23-10-2-3-11-23/h4-9,13H,2-3,10-12H2,1H3,(H,21,24).
What are the key properties of N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 431.54 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 16571980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).