N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide

C17H21N5O4S — CID 110248692

IUPACN-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C17H21N5O4S/c23-17(10-21-12-18-11-19-21)20-16-4-2-13-1-3-14(9-15(13)16)27(24,25)22-5-7-26-8-6-22/h1,3,9,11-12,16H,2,4-8,10H2,(H,20,23)
InChIKeyZJBRATLLWFGNFT-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.10
Rot. Bonds5

About N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide

N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 110248692) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID110248692
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC NameN-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C17H21N5O4S/c23-17(10-21-12-18-11-19-21)20-16-4-2-13-1-3-14(9-15(13)16)27(24,25)22-5-7-26-8-6-22/h1,3,9,11-12,16H,2,4-8,10H2,(H,20,23)
InChIKeyZJBRATLLWFGNFT-UHFFFAOYSA-N
XLogP0.10
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide
CID 92634815
4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide
CID 110248706
2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40943120
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 4171240
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51273599
4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450785
N-cyclopropyl-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767777
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 86955219
3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55880350
2-(2,4-difluorophenyl)-1-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 71591191
2-methoxy-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 28570089
N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 20903045

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide (CID 110248692) is N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NC1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is ZJBRATLLWFGNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c23-17(10-21-12-18-11-19-21)20-16-4-2-13-1-3-14(9-15(13)16)27(24,25)22-5-7-26-8-6-22/h1,3,9,11-12,16H,2,4-8,10H2,(H,20,23).
What are the key properties of N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 391.45 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 110248692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).