N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide

C14H14ClN3O2S — CID 82034454

IUPACN-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide
SMILESNCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C14H14ClN3O2S/c15-10-4-3-9(17-13(19)5-6-16)8-11(10)18-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6,16H2,(H,17,19)(H,18,20)
InChIKeyWZOXXCYTVOFXOV-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.94
Rot. Bonds5

About N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide

N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide (PubChem CID 82034454) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide
PubChem CID82034454
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC NameN-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide
SMILESNCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C14H14ClN3O2S/c15-10-4-3-9(17-13(19)5-6-16)8-11(10)18-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6,16H2,(H,17,19)(H,18,20)
InChIKeyWZOXXCYTVOFXOV-UHFFFAOYSA-N
XLogP2.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
4-[3-chloro-4-(thiophene-2-carbonylamino)anilino]-4-oxobutanoate
CID 6979012
3-amino-N-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]propanamide
CID 82034449
N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 978365
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide
CID 82034457
N-[5-[[3-(butanoylamino)phenyl]methylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 60514903
N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
CID 82034683
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-chloro-3-(thiophene-2-carbonylamino)benzoate
CID 2427679

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide (CID 82034454) is N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide is NCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide?
The InChIKey is WZOXXCYTVOFXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c15-10-4-3-9(17-13(19)5-6-16)8-11(10)18-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6,16H2,(H,17,19)(H,18,20).
What are the key properties of N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide?
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide has a molecular weight of 323.81 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide is sourced from PubChem (CID 82034454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).