2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide

C19H23N3O2S — CID 1072710

IUPAC2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide
SMILESCC1CCN(CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)CC1
InChIInChI=1S/C19H23N3O2S/c1-13-7-9-22(10-8-13)12-17(23)21-19-15(18(20)24)11-16(25-19)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H2,20,24)(H,21,23)
InChIKeyBWASTQMEHNKSRQ-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.18
Rot. Bonds5

About 2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide

2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide (PubChem CID 1072710) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide
PubChem CID1072710
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide
SMILESCC1CCN(CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)CC1
InChIInChI=1S/C19H23N3O2S/c1-13-7-9-22(10-8-13)12-17(23)21-19-15(18(20)24)11-16(25-19)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H2,20,24)(H,21,23)
InChIKeyBWASTQMEHNKSRQ-UHFFFAOYSA-N
XLogP3.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1190625
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
(5R)-N,N-Diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16122638
2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
2-Benzamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 678544
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679
2-(3-Methylbenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 690904
N-(3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxamide
CID 1190622
3-N,3-N-diethyl-5-methyl-2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido
CID 23628220
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
N-(2-hydroxyethyl)-N-methyl-2-[(phenylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1111969

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide (CID 1072710) is 2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide is CC1CCN(CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)CC1.
What is the InChIKey of 2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is BWASTQMEHNKSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-7-9-22(10-8-13)12-17(23)21-19-15(18(20)24)11-16(25-19)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H2,20,24)(H,21,23).
What are the key properties of 2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide?
2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 1072710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).