N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide

C19H25N3O2S — CID 9126293

IUPACN'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide
SMILESCC(=O)NNC(=O)CN[C@@H](c1ccc(CC(C)C)cc1)c1cccs1
InChIInChI=1S/C19H25N3O2S/c1-13(2)11-15-6-8-16(9-7-15)19(17-5-4-10-25-17)20-12-18(24)22-21-14(3)23/h4-10,13,19-20H,11-12H2,1-3H3,(H,21,23)(H,22,24)/t19-/m0/s1
InChIKeyFLBFMJAQXLSBBJ-IBGZPJMESA-N
MW359.50 g/mol
LogP2.79
Rot. Bonds7

About N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide

N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide (PubChem CID 9126293) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide
PubChem CID9126293
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide
SMILESCC(=O)NNC(=O)CN[C@@H](c1ccc(CC(C)C)cc1)c1cccs1
InChIInChI=1S/C19H25N3O2S/c1-13(2)11-15-6-8-16(9-7-15)19(17-5-4-10-25-17)20-12-18(24)22-21-14(3)23/h4-10,13,19-20H,11-12H2,1-3H3,(H,21,23)(H,22,24)/t19-/m0/s1
InChIKeyFLBFMJAQXLSBBJ-IBGZPJMESA-N
XLogP2.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 9126196
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 9126324
N-(1-cyanocyclopentyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 9126261
N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 41088668
2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8769647
N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8997932
(2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide
CID 9126245
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9052357
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
N'-[2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]acetyl]furan-2-carbohydrazide
CID 8996622
N-[2-(ethylamino)-2-oxoethyl]-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136383
N-(3-methylbutyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867294

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide?
The IUPAC name of N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide (CID 9126293) is N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide is CC(=O)NNC(=O)CN[C@@H](c1ccc(CC(C)C)cc1)c1cccs1.
What is the InChIKey of N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide?
The InChIKey is FLBFMJAQXLSBBJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13(2)11-15-6-8-16(9-7-15)19(17-5-4-10-25-17)20-12-18(24)22-21-14(3)23/h4-10,13,19-20H,11-12H2,1-3H3,(H,21,23)(H,22,24)/t19-/m0/s1.
What are the key properties of N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide?
N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide has a molecular weight of 359.50 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide is sourced from PubChem (CID 9126293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).