3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide

C13H23N3O2S2 — CID 103508186

IUPAC3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NC(CC)COC)c(SC)c1N
InChIInChI=1S/C13H23N3O2S2/c1-5-8(7-18-3)16-13-11(19-4)9(14)10(20-13)12(17)15-6-2/h8,16H,5-7,14H2,1-4H3,(H,15,17)
InChIKeyROZMBWMXOKWMDP-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.64
Rot. Bonds8

About 3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide

3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103508186) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103508186
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NC(CC)COC)c(SC)c1N
InChIInChI=1S/C13H23N3O2S2/c1-5-8(7-18-3)16-13-11(19-4)9(14)10(20-13)12(17)15-6-2/h8,16H,5-7,14H2,1-4H3,(H,15,17)
InChIKeyROZMBWMXOKWMDP-UHFFFAOYSA-N
XLogP2.64
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103508194
5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
CID 103508226
3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425798
3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103507338
methyl 3-amino-4-methylsulfanyl-5-(octan-4-ylamino)thiophene-2-carboxylate
CID 106029271
ethyl 3-amino-4-cyano-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxylate
CID 103508205
1-[3-amino-4-cyclopropyl-5-(1-methoxybutan-2-ylamino)thiophen-2-yl]ethanone
CID 103508167
[3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103425115
1-[3-amino-5-(3-methoxypropylamino)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103427005
3-amino-N-ethyl-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103418732
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103505794
3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103426987

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide (CID 103508186) is 3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide is CCNC(=O)c1sc(NC(CC)COC)c(SC)c1N.
What is the InChIKey of 3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is ROZMBWMXOKWMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-5-8(7-18-3)16-13-11(19-4)9(14)10(20-13)12(17)15-6-2/h8,16H,5-7,14H2,1-4H3,(H,15,17).
What are the key properties of 3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide?
3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103508186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).