2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid

C17H20N2O3S — CID 95143397

IUPAC2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid
SMILESCCC[C@@H](NC(=O)c1ccccc1NCC(=O)O)c1cccs1
InChIInChI=1S/C17H20N2O3S/c1-2-6-14(15-9-5-10-23-15)19-17(22)12-7-3-4-8-13(12)18-11-16(20)21/h3-5,7-10,14,18H,2,6,11H2,1H3,(H,19,22)(H,20,21)/t14-/m1/s1
InChIKeySLGMJYHRRQXIJA-CQSZACIVSA-N
MW332.43 g/mol
LogP3.52
Rot. Bonds8

About 2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid

2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid (PubChem CID 95143397) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid
PubChem CID95143397
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid
SMILESCCC[C@@H](NC(=O)c1ccccc1NCC(=O)O)c1cccs1
InChIInChI=1S/C17H20N2O3S/c1-2-6-14(15-9-5-10-23-15)19-17(22)12-7-3-4-8-13(12)18-11-16(20)21/h3-5,7-10,14,18H,2,6,11H2,1H3,(H,19,22)(H,20,21)/t14-/m1/s1
InChIKeySLGMJYHRRQXIJA-CQSZACIVSA-N
XLogP3.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide
CID 105069176
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 61381400
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide
CID 62513846
2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide
CID 61381188
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
3-[(2-iodobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 45350832
3-[(2-aminobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 61213668
2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid
CID 114996883
3-methyl-4-(1-thiophen-2-ylbutylcarbamoylamino)butanoic acid
CID 81069049

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid?
The IUPAC name of 2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid (CID 95143397) is 2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid.
What is the SMILES notation for 2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid?
The canonical SMILES for 2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid is CCC[C@@H](NC(=O)c1ccccc1NCC(=O)O)c1cccs1.
What is the InChIKey of 2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid?
The InChIKey is SLGMJYHRRQXIJA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-6-14(15-9-5-10-23-15)19-17(22)12-7-3-4-8-13(12)18-11-16(20)21/h3-5,7-10,14,18H,2,6,11H2,1H3,(H,19,22)(H,20,21)/t14-/m1/s1.
What are the key properties of 2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid?
2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid has a molecular weight of 332.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid is sourced from PubChem (CID 95143397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).