N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide

C21H21N3O2S — CID 32645878

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide
SMILESCC(=O)N1CCc2cc(NC(=O)CCCc3nc4ccccc4s3)ccc21
InChIInChI=1S/C21H21N3O2S/c1-14(25)24-12-11-15-13-16(9-10-18(15)24)22-20(26)7-4-8-21-23-17-5-2-3-6-19(17)27-21/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,22,26)
InChIKeyGXAHFXDOHIFQGT-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.17
Rot. Bonds5

About N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide (PubChem CID 32645878) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide
PubChem CID32645878
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide
SMILESCC(=O)N1CCc2cc(NC(=O)CCCc3nc4ccccc4s3)ccc21
InChIInChI=1S/C21H21N3O2S/c1-14(25)24-12-11-15-13-16(9-10-18(15)24)22-20(26)7-4-8-21-23-17-5-2-3-6-19(17)27-21/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,22,26)
InChIKeyGXAHFXDOHIFQGT-UHFFFAOYSA-N
XLogP4.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide
CID 30494500
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide
CID 2472699
4-[4-(1,3-benzothiazol-2-yl)butanoylamino]-N,N-dimethylbenzamide
CID 34544923
4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide
CID 32638446
3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]propanoic acid
CID 119252157
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 39966336
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
CID 46971413
5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
CID 24530018

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide (CID 32645878) is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide is CC(=O)N1CCc2cc(NC(=O)CCCc3nc4ccccc4s3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide?
The InChIKey is GXAHFXDOHIFQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14(25)24-12-11-15-13-16(9-10-18(15)24)22-20(26)7-4-8-21-23-17-5-2-3-6-19(17)27-21/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,22,26).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide has a molecular weight of 379.49 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 32645878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).