4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

C16H19N3O4S2 — CID 2576358

IUPAC4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ncc(C)s2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H19N3O4S2/c1-11-10-17-16(24-11)18-15(20)12-5-6-13(23-2)14(9-12)25(21,22)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,20)
InChIKeyCOKVVTOXUZHZKI-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.50
Rot. Bonds5

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

4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2576358) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2576358
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ncc(C)s2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H19N3O4S2/c1-11-10-17-16(24-11)18-15(20)12-5-6-13(23-2)14(9-12)25(21,22)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,20)
InChIKeyCOKVVTOXUZHZKI-UHFFFAOYSA-N
XLogP2.50
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
2-Methoxy-5-methyl-N-{3-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-propyl}-benzenesulfonamide
CID 23442592
N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4527908
N-(5-(4-methoxybenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 779445
4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2679232
N-(5-acetyl-4-methyl-thiazol-2-yl)-4-methoxy-3-morpholinosulfonyl-benzamide
CID 16251125
4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 3874979
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 4801248
N-{5-[(4-Fluorophenyl)methyl]-1,3-thiazol-2-YL}-4-propoxybenzamide
CID 1565671
N-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 31145776
N-[5-[3-(diethylsulfamoyl)-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 172439219
(3R)-N-[5-[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-cyanopyrrolidine-3-carboxamide
CID 177651990

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2576358) is 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ncc(C)s2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is COKVVTOXUZHZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-11-10-17-16(24-11)18-15(20)12-5-6-13(23-2)14(9-12)25(21,22)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,20).
What are the key properties of 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 381.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2576358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).