N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide

C19H25N3O2S — CID 39948346

IUPACN-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCN(C)[C@H](CNC(=O)CCCNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C19H25N3O2S/c1-22(2)16(15-8-4-3-5-9-15)14-21-18(23)11-6-12-20-19(24)17-10-7-13-25-17/h3-5,7-10,13,16H,6,11-12,14H2,1-2H3,(H,20,24)(H,21,23)/t16-/m1/s1
InChIKeyYZUFAQSAHZHCAU-MRXNPFEDSA-N
MW359.50 g/mol
LogP2.68
Rot. Bonds9

About N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 39948346) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID39948346
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCN(C)[C@H](CNC(=O)CCCNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C19H25N3O2S/c1-22(2)16(15-8-4-3-5-9-15)14-21-18(23)11-6-12-20-19(24)17-10-7-13-25-17/h3-5,7-10,13,16H,6,11-12,14H2,1-2H3,(H,20,24)(H,21,23)/t16-/m1/s1
InChIKeyYZUFAQSAHZHCAU-MRXNPFEDSA-N
XLogP2.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 51181102
N-[2-(dimethylamino)-2-phenylethyl]-4-thiophen-2-ylbutanamide
CID 42886375
N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 55368199
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 111334739
N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 18114572
N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 18167087
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 78793932
N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51188243
N-[4-(3-hydroxypentylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 115703678
N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide
CID 18161704
2-[methyl-[4-(thiophene-2-carbonylamino)butanoyl]amino]acetic acid
CID 43171140

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide (CID 39948346) is N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide is CN(C)[C@H](CNC(=O)CCCNC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is YZUFAQSAHZHCAU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-22(2)16(15-8-4-3-5-9-15)14-21-18(23)11-6-12-20-19(24)17-10-7-13-25-17/h3-5,7-10,13,16H,6,11-12,14H2,1-2H3,(H,20,24)(H,21,23)/t16-/m1/s1.
What are the key properties of N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 39948346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).