N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide

C17H19N3O3S2 — CID 94078717

IUPACN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccnc1)N[C@@H]1CCSc2ccccc21
InChIInChI=1S/C17H19N3O3S2/c21-17(7-10-19-25(22,23)13-4-3-9-18-12-13)20-15-8-11-24-16-6-2-1-5-14(15)16/h1-6,9,12,15,19H,7-8,10-11H2,(H,20,21)/t15-/m1/s1
InChIKeyMWEHLPVUWLTFKR-OAHLLOKOSA-N
MW377.49 g/mol
LogP2.10
Rot. Bonds6

About N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide (PubChem CID 94078717) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide
PubChem CID94078717
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccnc1)N[C@@H]1CCSc2ccccc21
InChIInChI=1S/C17H19N3O3S2/c21-17(7-10-19-25(22,23)13-4-3-9-18-12-13)20-15-8-11-24-16-6-2-1-5-14(15)16/h1-6,9,12,15,19H,7-8,10-11H2,(H,20,21)/t15-/m1/s1
InChIKeyMWEHLPVUWLTFKR-OAHLLOKOSA-N
XLogP2.10
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 24547813
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide
CID 60854166
N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119389033
N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
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N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]pyridine-3-sulfonamide
CID 124514745
N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 43072776
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(ethylsulfamoyl)benzamide
CID 26006999
N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119642641
3-[(4-fluorophenyl)sulfonylamino]-N-(2-oxothiolan-3-yl)propanamide
CID 17192160
3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 35805221
N-(piperidin-3-ylmethyl)-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119463159
3-[(3-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 30939297

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide (CID 94078717) is N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1cccnc1)N[C@@H]1CCSc2ccccc21.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The InChIKey is MWEHLPVUWLTFKR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c21-17(7-10-19-25(22,23)13-4-3-9-18-12-13)20-15-8-11-24-16-6-2-1-5-14(15)16/h1-6,9,12,15,19H,7-8,10-11H2,(H,20,21)/t15-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide?
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide has a molecular weight of 377.49 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(pyridin-3-ylsulfonylamino)propanamide is sourced from PubChem (CID 94078717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).