2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide

C16H23N3O3S — CID 119957554

IUPAC2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide
SMILESCCCn1ccc2ccc(NC(=O)C(N)CCS(C)(=O)=O)cc21
InChIInChI=1S/C16H23N3O3S/c1-3-8-19-9-6-12-4-5-13(11-15(12)19)18-16(20)14(17)7-10-23(2,21)22/h4-6,9,11,14H,3,7-8,10,17H2,1-2H3,(H,18,20)
InChIKeyPVIAJDOBRQKNCF-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.75
Rot. Bonds7

About 2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide

2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide (PubChem CID 119957554) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide
PubChem CID119957554
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide
SMILESCCCn1ccc2ccc(NC(=O)C(N)CCS(C)(=O)=O)cc21
InChIInChI=1S/C16H23N3O3S/c1-3-8-19-9-6-12-4-5-13(11-15(12)19)18-16(20)14(17)7-10-23(2,21)22/h4-6,9,11,14H,3,7-8,10,17H2,1-2H3,(H,18,20)
InChIKeyPVIAJDOBRQKNCF-UHFFFAOYSA-N
XLogP1.75
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-propylindol-6-yl)pentanamide;hydrochloride
CID 119331199
3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide
CID 71990600
(2S)-2-amino-4-methylsulfanyl-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865579
2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride
CID 119797080
2-amino-2-methyl-N-(1-propylindol-6-yl)propanamide
CID 119331183
N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
CID 43109034
(3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide
CID 125141718
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride
CID 119891314
4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide
CID 120592934
(2S)-2-amino-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]-4-methylsulfanylbutanamide
CID 119312283
1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea
CID 111474973
2-amino-N-(3-fluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 24699608

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide (CID 119957554) is 2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide is CCCn1ccc2ccc(NC(=O)C(N)CCS(C)(=O)=O)cc21.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide?
The InChIKey is PVIAJDOBRQKNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-3-8-19-9-6-12-4-5-13(11-15(12)19)18-16(20)14(17)7-10-23(2,21)22/h4-6,9,11,14H,3,7-8,10,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide?
2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide has a molecular weight of 337.45 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide is sourced from PubChem (CID 119957554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).