N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C17H18N2O2S2 — CID 39546590

IUPACN-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCSc2ccccc21
InChIInChI=1S/C17H18N2O2S2/c1-11(18-17(21)15-7-4-9-22-15)16(20)19-13-8-10-23-14-6-3-2-5-12(13)14/h2-7,9,11,13H,8,10H2,1H3,(H,18,21)(H,19,20)/t11-,13-/m1/s1
InChIKeyBELDRJWXUYAPOV-DGCLKSJQSA-N
MW346.48 g/mol
LogP3.22
Rot. Bonds4

About N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 39546590) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID39546590
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC NameN-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCSc2ccccc21
InChIInChI=1S/C17H18N2O2S2/c1-11(18-17(21)15-7-4-9-22-15)16(20)19-13-8-10-23-14-6-3-2-5-12(13)14/h2-7,9,11,13H,8,10H2,1H3,(H,18,21)(H,19,20)/t11-,13-/m1/s1
InChIKeyBELDRJWXUYAPOV-DGCLKSJQSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dihydro-2H-thiochromen-4-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 42929757
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 107903329
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110903621
N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119385819
N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119474452
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 79024984
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide
CID 104897215
N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 39612740
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide
CID 47106126
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
(E)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-thiophen-2-ylprop-2-enamide
CID 8899095

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 39546590) is N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CCSc2ccccc21.
What is the InChIKey of N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is BELDRJWXUYAPOV-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-11(18-17(21)15-7-4-9-22-15)16(20)19-13-8-10-23-14-6-3-2-5-12(13)14/h2-7,9,11,13H,8,10H2,1H3,(H,18,21)(H,19,20)/t11-,13-/m1/s1.
What are the key properties of N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 39546590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).