N-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide

C18H25N3O3S2 — CID 5309803

IUPACN-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide
SMILESCc1nc2ccc(S(=O)(=O)NC(C(=O)NC3CCCC3)C(C)C)cc2s1
InChIInChI=1S/C18H25N3O3S2/c1-11(2)17(18(22)20-13-6-4-5-7-13)21-26(23,24)14-8-9-15-16(10-14)25-12(3)19-15/h8-11,13,17,21H,4-7H2,1-3H3,(H,20,22)
InChIKeyUVRNXBNBWHVGDN-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.97
Rot. Bonds6

About N-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide

N-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide (PubChem CID 5309803) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide
PubChem CID5309803
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC NameN-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide
SMILESCc1nc2ccc(S(=O)(=O)NC(C(=O)NC3CCCC3)C(C)C)cc2s1
InChIInChI=1S/C18H25N3O3S2/c1-11(2)17(18(22)20-13-6-4-5-7-13)21-26(23,24)14-8-9-15-16(10-14)25-12(3)19-15/h8-11,13,17,21H,4-7H2,1-3H3,(H,20,22)
InChIKeyUVRNXBNBWHVGDN-UHFFFAOYSA-N
XLogP2.97
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide?
The IUPAC name of N-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide (CID 5309803) is N-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide?
The canonical SMILES for N-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide is Cc1nc2ccc(S(=O)(=O)NC(C(=O)NC3CCCC3)C(C)C)cc2s1.
What is the InChIKey of N-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide?
The InChIKey is UVRNXBNBWHVGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-11(2)17(18(22)20-13-6-4-5-7-13)21-26(23,24)14-8-9-15-16(10-14)25-12(3)19-15/h8-11,13,17,21H,4-7H2,1-3H3,(H,20,22).
What are the key properties of N-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide?
N-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide has a molecular weight of 395.55 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide is sourced from PubChem (CID 5309803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).