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

C13H23N3O3S2 — CID 103423529

IUPAC3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NC(C)CC)c(S(=O)(=O)CC)c1N
InChIInChI=1S/C13H23N3O3S2/c1-5-8(4)16-13-11(21(18,19)7-3)9(14)10(20-13)12(17)15-6-2/h8,16H,5-7,14H2,1-4H3,(H,15,17)
InChIKeyXMKVMZNZXOYUQJ-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.08
Rot. Bonds7

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

3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide (PubChem CID 103423529) has the molecular formula C13H23N3O3S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
PubChem CID103423529
Molecular FormulaC13H23N3O3S2
Molecular Weight333.48 g/mol
Exact Mass333.12
IUPAC Name3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NC(C)CC)c(S(=O)(=O)CC)c1N
InChIInChI=1S/C13H23N3O3S2/c1-5-8(4)16-13-11(21(18,19)7-3)9(14)10(20-13)12(17)15-6-2/h8,16H,5-7,14H2,1-4H3,(H,15,17)
InChIKeyXMKVMZNZXOYUQJ-UHFFFAOYSA-N
XLogP2.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103423583
1-[3-amino-5-(butan-2-ylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one
CID 103423497
3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103424469
3-amino-N-ethyl-5-(3-methylbutan-2-ylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103426936
3-amino-N-ethyl-4-ethylsulfonyl-5-methylsulfanylthiophene-2-carboxamide
CID 103526684
1-[3-amino-4-ethylsulfonyl-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]propan-1-one
CID 103425037
3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
CID 103419201
1-[3-amino-5-(1-cyclopropylethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one
CID 103427565
1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one
CID 103424444
3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423807
3-amino-5-(butan-2-ylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103423539
diethyl 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarboxylate
CID 103423559

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide (CID 103423529) is 3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide is CCNC(=O)c1sc(NC(C)CC)c(S(=O)(=O)CC)c1N.
What is the InChIKey of 3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide?
The InChIKey is XMKVMZNZXOYUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S2/c1-5-8(4)16-13-11(21(18,19)7-3)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-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide?
3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(butan-2-ylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103423529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).