N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C17H20N4O3S — CID 55703165

IUPACN-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C17H20N4O3S/c1-10(12-5-7-13(8-6-12)21-17(18)24)19-15(22)11(2)20-16(23)14-4-3-9-25-14/h3-11H,1-2H3,(H,19,22)(H,20,23)(H3,18,21,24)
InChIKeyZFYNUPKJFPRNAA-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.23
Rot. Bonds6

About N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55703165) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID55703165
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C17H20N4O3S/c1-10(12-5-7-13(8-6-12)21-17(18)24)19-15(22)11(2)20-16(23)14-4-3-9-25-14/h3-11H,1-2H3,(H,19,22)(H,20,23)(H3,18,21,24)
InChIKeyZFYNUPKJFPRNAA-UHFFFAOYSA-N
XLogP2.23
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-[4-(carbamoylamino)phenyl]ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 55703070
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[1-[1-(3-bromophenyl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 43059234
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
(2R)-2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288550
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288546
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
[1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]propan-2-yl]urea
CID 18164638
N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46476899
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide
CID 43695581

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55703165) is N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)NC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is ZFYNUPKJFPRNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-10(12-5-7-13(8-6-12)21-17(18)24)19-15(22)11(2)20-16(23)14-4-3-9-25-14/h3-11H,1-2H3,(H,19,22)(H,20,23)(H3,18,21,24).
What are the key properties of N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-(carbamoylamino)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55703165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).