N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide

C18H18N4O2S — CID 154774741

IUPACN-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H18N4O2S/c23-17(6-8-19-18(24)15-7-10-25-12-15)20-11-13-1-3-14(4-2-13)16-5-9-21-22-16/h1-5,7,9-10,12H,6,8,11H2,(H,19,24)(H,20,23)(H,21,22)
InChIKeyCABJBYOQBZGGCD-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.57
Rot. Bonds7

About N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide

N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide (PubChem CID 154774741) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide
PubChem CID154774741
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H18N4O2S/c23-17(6-8-19-18(24)15-7-10-25-12-15)20-11-13-1-3-14(4-2-13)16-5-9-21-22-16/h1-5,7,9-10,12H,6,8,11H2,(H,19,24)(H,20,23)(H,21,22)
InChIKeyCABJBYOQBZGGCD-UHFFFAOYSA-N
XLogP2.57
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 27256783
tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate
CID 47057073
N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 35859231
N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 56551816
N-[3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propyl]thiophene-3-carboxamide
CID 37482217
3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 64677992
3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide
CID 80645088
N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide
CID 55840954
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[4-(isoquinolin-1-ylmethylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 26071493
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide (CID 154774741) is N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide?
The InChIKey is CABJBYOQBZGGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-17(6-8-19-18(24)15-7-10-25-12-15)20-11-13-1-3-14(4-2-13)16-5-9-21-22-16/h1-5,7,9-10,12H,6,8,11H2,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide?
N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide is sourced from PubChem (CID 154774741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).