2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid

C18H20N2O5S2 — CID 171355035

IUPAC2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cs1
InChIInChI=1S/C18H20N2O5S2/c21-17(22)11-19-18(23)16-10-15(12-26-16)27(24,25)20-8-6-14(7-9-20)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,19,23)(H,21,22)
InChIKeyDSHRRKNYAPZCBE-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.13
Rot. Bonds6

About 2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid

2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid (PubChem CID 171355035) has the molecular formula C18H20N2O5S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid
PubChem CID171355035
Molecular FormulaC18H20N2O5S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC Name2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cs1
InChIInChI=1S/C18H20N2O5S2/c21-17(22)11-19-18(23)16-10-15(12-26-16)27(24,25)20-8-6-14(7-9-20)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,19,23)(H,21,22)
InChIKeyDSHRRKNYAPZCBE-UHFFFAOYSA-N
XLogP2.13
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid 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

2-[[5-(4-phenylpiperidin-1-yl)sulfonylthiophene-3-carbonyl]amino]acetic acid
CID 171357412
4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide
CID 6504027
2-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylbenzoyl]amino]acetic acid
CID 171349451
2-[[3-hydroxy-5-[1-(4-hydroxyphenyl)sulfonylazepan-4-yl]pyridine-2-carbonyl]amino]acetic acid
CID 175228715
4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide
CID 6503383
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61068404
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300
4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503399
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 6503837
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61063212
N-cyclopentyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
CID 6503835

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid (CID 171355035) is 2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1cc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cs1.
What is the InChIKey of 2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid?
The InChIKey is DSHRRKNYAPZCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S2/c21-17(22)11-19-18(23)16-10-15(12-26-16)27(24,25)20-8-6-14(7-9-20)13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,19,23)(H,21,22).
What are the key properties of 2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid?
2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid has a molecular weight of 408.50 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 171355035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).