2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide

C16H18N4O2S — CID 68715173

IUPAC2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(CNC3CC3)cc2)cc1C(N)=O
InChIInChI=1S/C16H18N4O2S/c17-14(21)12-7-13(23-15(12)20-16(18)22)10-3-1-9(2-4-10)8-19-11-5-6-11/h1-4,7,11,19H,5-6,8H2,(H2,17,21)(H3,18,20,22)
InChIKeyFUNOWOZQMXSNPD-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.26
Rot. Bonds6

About 2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide (PubChem CID 68715173) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide
PubChem CID68715173
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(CNC3CC3)cc2)cc1C(N)=O
InChIInChI=1S/C16H18N4O2S/c17-14(21)12-7-13(23-15(12)20-16(18)22)10-3-1-9(2-4-10)8-19-11-5-6-11/h1-4,7,11,19H,5-6,8H2,(H2,17,21)(H3,18,20,22)
InChIKeyFUNOWOZQMXSNPD-UHFFFAOYSA-N
XLogP2.26
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-5-[4-(methylaminomethyl)phenyl]thiophene-3-carboxamide
CID 44560752
2-(carbamoylamino)-5-[4-[[(3-fluorophenyl)methylamino]methyl]phenyl]thiophene-3-carboxamide
CID 68711421
(2S)-2-[[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methylamino]-3-phenylpropanoic acid
CID 59273159
2-(carbamoylamino)-5-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]thiophene-3-carboxamide
CID 10317409
(2S)-2-[[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methylamino]-2-naphthalen-2-ylacetic acid
CID 59273110
cyclopentyl (2R)-2-amino-5-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenoxy]pentanoate
CID 67415740
2-(carbamoylamino)-5-[4-(cyanomethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077917
cyclopentyl (2S)-2-[[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methylamino]-4-methylpentanoate
CID 24946973
cyclopentyl (2R)-5-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 59243601
2-(carbamoylamino)-5-(4-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11349000
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11451776
2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide
CID 67119830

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide (CID 68715173) is 2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccc(CNC3CC3)cc2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide?
The InChIKey is FUNOWOZQMXSNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c17-14(21)12-7-13(23-15(12)20-16(18)22)10-3-1-9(2-4-10)8-19-11-5-6-11/h1-4,7,11,19H,5-6,8H2,(H2,17,21)(H3,18,20,22).
What are the key properties of 2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 68715173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).