2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide

C17H29N3OS — CID 142795811

IUPAC2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide
SMILESCCN(C)C1CCC(N(CC)c2scc(C)c2C(N)=O)CC1
InChIInChI=1S/C17H29N3OS/c1-5-19(4)13-7-9-14(10-8-13)20(6-2)17-15(16(18)21)12(3)11-22-17/h11,13-14H,5-10H2,1-4H3,(H2,18,21)
InChIKeyWKIRPGNRXVVASX-UHFFFAOYSA-N
MW323.51 g/mol
LogP3.24
Rot. Bonds6

About 2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide

2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide (PubChem CID 142795811) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide
PubChem CID142795811
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide
SMILESCCN(C)C1CCC(N(CC)c2scc(C)c2C(N)=O)CC1
InChIInChI=1S/C17H29N3OS/c1-5-19(4)13-7-9-14(10-8-13)20(6-2)17-15(16(18)21)12(3)11-22-17/h11,13-14H,5-10H2,1-4H3,(H2,18,21)
InChIKeyWKIRPGNRXVVASX-UHFFFAOYSA-N
XLogP3.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 86763597
5-[cyclohexyl(ethyl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 117689067
5-(((trans)-4-(Dimethylamino)cyclohexyl)(ethyl)amino)-4-methylthiophene-3-carboxamide
CID 131747634
2-[Ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 142795809
2-[[4-(Dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide;hydrochloride
CID 142795821
2-[[4-(Dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
CID 142795822
2-[Ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide;hydrochloride
CID 142795826
5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,4-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)methyl]-4-methylthiophene-3-carboxamide
CID 157419779
4-Methyl-2-(propan-2-ylamino)thiophene-3-carboxamide
CID 164709707
2-amino-N,N-diethyl-4-methylthiophene-3-carboxamide
CID 82056796
2-amino-4-methyl-N,N-dipropylthiophene-3-carboxamide
CID 82056797

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide (CID 142795811) is 2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide is CCN(C)C1CCC(N(CC)c2scc(C)c2C(N)=O)CC1.
What is the InChIKey of 2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide?
The InChIKey is WKIRPGNRXVVASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-5-19(4)13-7-9-14(10-8-13)20(6-2)17-15(16(18)21)12(3)11-22-17/h11,13-14H,5-10H2,1-4H3,(H2,18,21).
What are the key properties of 2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide?
2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide has a molecular weight of 323.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 142795811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).