3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide

C13H23N3O3S2 — CID 103419201

IUPAC3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(CC)CC)c(S(=O)(=O)CC)c1N
InChIInChI=1S/C13H23N3O3S2/c1-5-15-12(17)10-9(14)11(21(18,19)8-4)13(20-10)16(6-2)7-3/h5-8,14H2,1-4H3,(H,15,17)
InChIKeyQZHVCADPNILGRO-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.72
Rot. Bonds7

About 3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide

3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide (PubChem CID 103419201) has the molecular formula C13H23N3O3S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
PubChem CID103419201
Molecular FormulaC13H23N3O3S2
Molecular Weight333.48 g/mol
Exact Mass333.12
IUPAC Name3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(CC)CC)c(S(=O)(=O)CC)c1N
InChIInChI=1S/C13H23N3O3S2/c1-5-15-12(17)10-9(14)11(21(18,19)8-4)13(20-10)16(6-2)7-3/h5-8,14H2,1-4H3,(H,15,17)
InChIKeyQZHVCADPNILGRO-UHFFFAOYSA-N
XLogP1.72
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103419200
3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103424469
3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide
CID 103526684
1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103420506
3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419241
3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
CID 103423529
3-amino-2-N-ethyl-5-[ethyl(propyl)amino]-4-N-methylthiophene-2,4-dicarboxamide
CID 103421012
3-amino-5-(dimethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103420203
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103526538
3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide
CID 103420839
3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide
CID 103419175
3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103423583

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide (CID 103419201) is 3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide is CCNC(=O)c1sc(N(CC)CC)c(S(=O)(=O)CC)c1N.
What is the InChIKey of 3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide?
The InChIKey is QZHVCADPNILGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S2/c1-5-15-12(17)10-9(14)11(21(18,19)8-4)13(20-10)16(6-2)7-3/h5-8,14H2,1-4H3,(H,15,17).
What are the key properties of 3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide?
3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103419201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).