N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

C24H27N3O3S — CID 31057394

IUPACN-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESO=C(N[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1)c1cccs1
InChIInChI=1S/C24H27N3O3S/c28-21(19-7-4-8-31-19)25-20(18-5-2-1-3-6-18)22(29)26-27-23(30)24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17,20H,9-14H2,(H,25,28)(H,26,29)(H,27,30)/t15?,16?,17?,20-,24?/m0/s1
InChIKeyYCRVSYGNBZMNJN-ZDCBYCKXSA-N
MW437.57 g/mol
LogP3.58
Rot. Bonds5

About N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 31057394) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
PubChem CID31057394
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESO=C(N[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1)c1cccs1
InChIInChI=1S/C24H27N3O3S/c28-21(19-7-4-8-31-19)25-20(18-5-2-1-3-6-18)22(29)26-27-23(30)24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17,20H,9-14H2,(H,25,28)(H,26,29)(H,27,30)/t15?,16?,17?,20-,24?/m0/s1
InChIKeyYCRVSYGNBZMNJN-ZDCBYCKXSA-N
XLogP3.58
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide 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

N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 31057380
(2S)-2-(1-adamantyl)-2-(thiophene-2-carbonylamino)acetic acid
CID 7065356
(2S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-cyclopropyl-2-phenylacetamide
CID 26619889
[(2S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 9322762
N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 51929199
N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
CID 42944393
N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide
CID 97256447
methyl 2-[[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]amino]benzoate
CID 2237012
N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 31697369
N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24653858
N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide
CID 95331365
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24668774

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (CID 31057394) is N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is O=C(N[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1)c1cccs1.
What is the InChIKey of N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is YCRVSYGNBZMNJN-ZDCBYCKXSA-N. The full InChI is InChI=1S/C24H27N3O3S/c28-21(19-7-4-8-31-19)25-20(18-5-2-1-3-6-18)22(29)26-27-23(30)24-12-15-9-16(13-24)11-17(10-15)14-24/h1-8,15-17,20H,9-14H2,(H,25,28)(H,26,29)(H,27,30)/t15?,16?,17?,20-,24?/m0/s1.
What are the key properties of N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 31057394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).