3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide

C18H23N3O4S2 — CID 1236909

IUPAC3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCC(C)CC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C18H23N3O4S2/c1-13(2)11-17(22)20-18-19-16(12-26-18)14-3-5-15(6-4-14)27(23,24)21-7-9-25-10-8-21/h3-6,12-13H,7-11H2,1-2H3,(H,19,20,22)
InChIKeyVQRMETCMPFWCHO-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.82
Rot. Bonds6

About 3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide

3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 1236909) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID1236909
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC Name3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCC(C)CC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C18H23N3O4S2/c1-13(2)11-17(22)20-18-19-16(12-26-18)14-3-5-15(6-4-14)27(23,24)21-7-9-25-10-8-21/h3-6,12-13H,7-11H2,1-2H3,(H,19,20,22)
InChIKeyVQRMETCMPFWCHO-UHFFFAOYSA-N
XLogP2.82
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide (CID 1236909) is 3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide is CC(C)CC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1.
What is the InChIKey of 3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is VQRMETCMPFWCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-13(2)11-17(22)20-18-19-16(12-26-18)14-3-5-15(6-4-14)27(23,24)21-7-9-25-10-8-21/h3-6,12-13H,7-11H2,1-2H3,(H,19,20,22).
What are the key properties of 3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide?
3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 409.53 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 1236909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).