N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide

C15H22N2O3S — CID 61022571

IUPACN-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C15H22N2O3S/c1-3-11(2)17-15(18)8-9-16-13-10-21(19,20)14-7-5-4-6-12(13)14/h4-7,11,13,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyMMNLEVGHRAKARP-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.41
Rot. Bonds6

About N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide

N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide (PubChem CID 61022571) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide
PubChem CID61022571
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C15H22N2O3S/c1-3-11(2)17-15(18)8-9-16-13-10-21(19,20)14-7-5-4-6-12(13)14/h4-7,11,13,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyMMNLEVGHRAKARP-UHFFFAOYSA-N
XLogP1.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanamide
CID 61022207
N-(2-ethoxyethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43590922
N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide
CID 54901056
N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524045
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43522871
2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanoic acid
CID 43638679
N-butan-2-yl-3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propanamide
CID 79221235
N-butan-2-yl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81334511
1,1-dioxo-N-pent-4-ynyl-2,3-dihydro-1-benzothiophen-3-amine
CID 114160013
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide
CID 79730548
(2S)-2-butoxy-N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]propanamide
CID 95771982
3-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)pentan-2-one
CID 79428432

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide (CID 61022571) is N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide is CCC(C)NC(=O)CCNC1CS(=O)(=O)c2ccccc21.
What is the InChIKey of N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide?
The InChIKey is MMNLEVGHRAKARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-11(2)17-15(18)8-9-16-13-10-21(19,20)14-7-5-4-6-12(13)14/h4-7,11,13,16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide?
N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide has a molecular weight of 310.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide is sourced from PubChem (CID 61022571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).