2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide

C17H22N4O3S — CID 44560771

IUPAC2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide
SMILESCN(C)CCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
InChIInChI=1S/C17H22N4O3S/c1-21(2)8-3-9-24-12-6-4-11(5-7-12)14-10-13(15(18)22)16(25-14)20-17(19)23/h4-7,10H,3,8-9H2,1-2H3,(H2,18,22)(H3,19,20,23)
InChIKeyMKFBFGXYGIKOGL-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.34
Rot. Bonds8

About 2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide (PubChem CID 44560771) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide
PubChem CID44560771
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide
SMILESCN(C)CCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
InChIInChI=1S/C17H22N4O3S/c1-21(2)8-3-9-24-12-6-4-11(5-7-12)14-10-13(15(18)22)16(25-14)20-17(19)23/h4-7,10H,3,8-9H2,1-2H3,(H2,18,22)(H3,19,20,23)
InChIKeyMKFBFGXYGIKOGL-UHFFFAOYSA-N
XLogP2.34
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(2-Dimethylaminoethyloxy)phenyl]-2-Ureido-Thiophene-3-Carboxamide
CID 9902908
N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-(1-pyrrolidinyl)acetamide
CID 2814375
N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-methyl-1-piperazinyl)acetamide
CID 2814376
3-[(Aminocarbonyl)amino]-5-(4-methoxyphenyl)-2-thiophenecarboxamide
CID 9943895
3-ThiophenecarboxaMide, 2-[(aMinocarbonyl)aMino]-5-[2-[2-[Methyl(phenylMethyl)aMino]ethoxy]phenyl]-
CID 9954114
1-(3-Carbamoyl-5-(4-(2-(piperidin-1-yl)ethoxy)phenyl)thiophen-2-yl)urea
CID 10221890
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(pyrrolidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11517939
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11518244
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-((3-(hydroxymethyl)phenyl)carbamoyl)thiophen-2-yl)urea
CID 11547522
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-4-ylcarbamoyl)thiophen-2-yl)urea
CID 11662575
(+/-)-1-(5-(3-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11676957
1-(5-(4-((4-Methoxybenzylamino)methyl)phenyl)-3-carbamoylthiophen-2-yl)urea
CID 44560808

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide (CID 44560771) is 2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide is CN(C)CCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1.
What is the InChIKey of 2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide?
The InChIKey is MKFBFGXYGIKOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-21(2)8-3-9-24-12-6-4-11(5-7-12)14-10-13(15(18)22)16(25-14)20-17(19)23/h4-7,10H,3,8-9H2,1-2H3,(H2,18,22)(H3,19,20,23).
What are the key properties of 2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 44560771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).