N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C16H20N4O2S — CID 119582974

IUPACN-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCC(CN)N(C)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C16H20N4O2S/c1-11(10-17)20(2)15(21)13-8-9-14(23-13)19-16(22)18-12-6-4-3-5-7-12/h3-9,11H,10,17H2,1-2H3,(H2,18,19,22)
InChIKeySUQGOZOJWXWAEP-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.81
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 119582974) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID119582974
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCC(CN)N(C)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C16H20N4O2S/c1-11(10-17)20(2)15(21)13-8-9-14(23-13)19-16(22)18-12-6-4-3-5-7-12/h3-9,11H,10,17H2,1-2H3,(H2,18,19,22)
InChIKeySUQGOZOJWXWAEP-UHFFFAOYSA-N
XLogP2.81
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 86927392
5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553
N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849139
N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 119584872
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 119598682
N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119585103
N-[(4-cyanophenyl)methyl]-5-(phenylcarbamoylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 78853392
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849577
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 86852439
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850259
1-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]thiophen-2-yl]-3-phenylurea;hydrochloride
CID 119518568
N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849686

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 119582974) is N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide is CC(CN)N(C)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is SUQGOZOJWXWAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11(10-17)20(2)15(21)13-8-9-14(23-13)19-16(22)18-12-6-4-3-5-7-12/h3-9,11H,10,17H2,1-2H3,(H2,18,19,22).
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 119582974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).