2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C17H20ClN3O2S2 — CID 40741491

IUPAC2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESC[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C17H20ClN3O2S2/c1-9(21(2)8-10-6-7-13(18)24-10)16(23)20-17-14(15(19)22)11-4-3-5-12(11)25-17/h6-7,9H,3-5,8H2,1-2H3,(H2,19,22)(H,20,23)/t9-/m1/s1
InChIKeyLZGARXWSVODOIW-SECBINFHSA-N
MW397.95 g/mol
LogP3.51
Rot. Bonds6

About 2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 40741491) has the molecular formula C17H20ClN3O2S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID40741491
Molecular FormulaC17H20ClN3O2S2
Molecular Weight397.95 g/mol
Exact Mass397.07
IUPAC Name2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESC[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C17H20ClN3O2S2/c1-9(21(2)8-10-6-7-13(18)24-10)16(23)20-17-14(15(19)22)11-4-3-5-12(11)25-17/h6-7,9H,3-5,8H2,1-2H3,(H2,19,22)(H,20,23)/t9-/m1/s1
InChIKeyLZGARXWSVODOIW-SECBINFHSA-N
XLogP3.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 55431901
2-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 55430704
2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 17468438
2-[2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 24507574
2-[[(2S)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 41135568
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9167371
2-[[(2R)-2-(4-bromoanilino)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 40954200
[(2S)-1-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248778
2-[[(2R)-2-pyrrolidin-1-ylpropanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9275032
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(ethylcarbamoyl)propanamide
CID 18087462
2-[[(2S)-2-[[(1S)-1-phenylethyl]amino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9248777
(2S)-N-(1,3-benzodioxol-5-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
CID 9357555

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 40741491) is 2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is LZGARXWSVODOIW-SECBINFHSA-N. The full InChI is InChI=1S/C17H20ClN3O2S2/c1-9(21(2)8-10-6-7-13(18)24-10)16(23)20-17-14(15(19)22)11-4-3-5-12(11)25-17/h6-7,9H,3-5,8H2,1-2H3,(H2,19,22)(H,20,23)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 397.95 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 40741491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).