4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide

C14H21N3O3S — CID 103424714

IUPAC4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide
SMILESCCC(=O)c1sc(NC2CCC(O)CC2)c(C(N)=O)c1N
InChIInChI=1S/C14H21N3O3S/c1-2-9(19)12-11(15)10(13(16)20)14(21-12)17-7-3-5-8(18)6-4-7/h7-8,17-18H,2-6,15H2,1H3,(H2,16,20)
InChIKeyWAINCNXQNKXJQM-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.74
Rot. Bonds5

About 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide

4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide (PubChem CID 103424714) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide
PubChem CID103424714
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide
SMILESCCC(=O)c1sc(NC2CCC(O)CC2)c(C(N)=O)c1N
InChIInChI=1S/C14H21N3O3S/c1-2-9(19)12-11(15)10(13(16)20)14(21-12)17-7-3-5-8(18)6-4-7/h7-8,17-18H,2-6,15H2,1H3,(H2,16,20)
InChIKeyWAINCNXQNKXJQM-UHFFFAOYSA-N
XLogP1.74
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide
CID 103427111
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103424692
4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
CID 103424451
3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide
CID 103423923
ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate
CID 103423694
methyl 5-acetyl-4-amino-2-[(4-hydroxycyclohexyl)amino]thiophene-3-carboxylate
CID 103424711
3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide
CID 103423956
3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide
CID 103424749
1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103423911
1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103525907
1-[3-amino-5-(cyclobutylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103525894
1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one
CID 103423034

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide?
The IUPAC name of 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide (CID 103424714) is 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide is CCC(=O)c1sc(NC2CCC(O)CC2)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide?
The InChIKey is WAINCNXQNKXJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-9(19)12-11(15)10(13(16)20)14(21-12)17-7-3-5-8(18)6-4-7/h7-8,17-18H,2-6,15H2,1H3,(H2,16,20).
What are the key properties of 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide?
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide is sourced from PubChem (CID 103424714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).