5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide

C21H23N3OS — CID 156907336

IUPAC5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN)s2)c1
InChIInChI=1S/C21H23N3OS/c1-13-6-7-17(23)11-19(13)21(25)24-14(2)15-4-3-5-16(10-15)20-9-8-18(12-22)26-20/h3-11,14H,12,22-23H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyBIKRKCAYULPYTN-CQSZACIVSA-N
MW365.50 g/mol
LogP4.26
Rot. Bonds5

About 5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide

5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide (PubChem CID 156907336) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide
PubChem CID156907336
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN)s2)c1
InChIInChI=1S/C21H23N3OS/c1-13-6-7-17(23)11-19(13)21(25)24-14(2)15-4-3-5-16(10-15)20-9-8-18(12-22)26-20/h3-11,14H,12,22-23H2,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyBIKRKCAYULPYTN-CQSZACIVSA-N
XLogP4.26
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide (CID 156907336) is 5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(CN)s2)c1.
What is the InChIKey of 5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide?
The InChIKey is BIKRKCAYULPYTN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-13-6-7-17(23)11-19(13)21(25)24-14(2)15-4-3-5-16(10-15)20-9-8-18(12-22)26-20/h3-11,14H,12,22-23H2,1-2H3,(H,24,25)/t14-/m1/s1.
What are the key properties of 5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide?
5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide has a molecular weight of 365.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1R)-1-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 156907336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).